(4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-1-(4-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

InChI

InChI=1S/C25H22N4O5/c1-25(2)10-18-23(19(30)11-25)22(14-3-8-20-21(9-14)34-13-33-20)17(12-26)24(27)28(18)15-4-6-16(7-5-15)29(31)32/h3-9,22H,10-11,13,27H2,1-2H3/t22-/m0/s1