2-[(1,4-Dihydro-3-methoxy-1,4-dioxo-2-naphthalenyl)methylene]-N,N-diethylpent...
C21H25NO4
1415030-15-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9302 5.3348 0.0 0
M  V30 2 C 7.7002 4.0012 0.0 0
M  V30 3 C 9.2402 4.0012 0.0 0
M  V30 4 C 6.9302 2.6675 0.0 0
M  V30 5 N 10.0102 5.3348 0.0 0
M  V30 6 O 10.0102 2.6675 0.0 0
M  V30 7 C 7.7002 1.3337 0.0 0
M  V30 8 C 9.2402 6.6685 0.0 0
M  V30 9 C 11.5503 5.3348 0.0 0
M  V30 10 C 6.9302 0.0000 0.0 0
M  V30 11 C 10.0102 8.0023 0.0 0
M  V30 12 C 12.3203 6.6685 0.0 0
M  V30 13 O 5.3901 8.0023 0.0 0
M  V30 14 C 4.6201 9.3360 0.0 0
M  V30 15 O 5.3901 2.6675 0.0 0
M  V30 16 O 2.3101 8.0023 0.0 0
M  V30 17 C 5.3901 5.3348 0.0 0
M  V30 18 C 4.6201 6.6685 0.0 0
M  V30 19 C 4.6201 4.0012 0.0 0
M  V30 20 C 3.0801 6.6685 0.0 0
M  V30 21 C 3.0801 4.0012 0.0 0
M  V30 22 C 2.3101 5.3348 0.0 0
M  V30 23 C 2.3101 2.6675 0.0 0
M  V30 24 C 0.7700 5.3348 0.0 0
M  V30 25 C 0.7700 2.6675 0.0 0
M  V30 26 C 0.0000 4.0012 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2 CFG=2
M  V30 2 1 1 17
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 2 3 6
M  V30 7 1 4 7
M  V30 8 1 5 8
M  V30 9 1 5 9
M  V30 10 1 7 10
M  V30 11 1 8 11
M  V30 12 1 9 12
M  V30 13 1 13 14
M  V30 14 1 13 18
M  V30 15 2 15 19
M  V30 16 2 16 20
M  V30 17 2 17 18
M  V30 18 1 17 19
M  V30 19 1 18 20
M  V30 20 1 19 21
M  V30 21 1 20 22
M  V30 22 1 21 22
M  V30 23 2 21 23
M  V30 24 2 22 24
M  V30 25 1 23 25
M  V30 26 1 24 26
M  V30 27 2 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1415030-15-7

> <cas.index.name>
Pentanamide, 2-[(1,4-dihydro-3-methoxy-1,4-dioxo-2-naphthalenyl)methylene]-N,N-diethyl-

> <molecular.formula>
C21H25NO4

> <molecular.weight>
355.43

> <boiling.point.predicted>
514.8±50.0 °C    Press: 760 Torr

> <density.predicted>
1.16±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-1.03±0.70    Most Basic Temp: 25 °C

$$$$
