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

Systemtic Name: 2-azanyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C20H19N7O3/c1-20(2)7-14-17(15(28)8-20)16(11-4-3-5-12(6-11)27(29)30)13(9-21)18(22)26(14)19-23-10-24-25-19/h3-6,10,16H,7-8,22H2,1-2H3,(H,23,24,25)