(4S)-2-azanyl-1-(4-nitrophenyl)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(4-nitrophenyl)-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-(4-nitrophenyl)-4-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1

InChI

InChI=1S/C21H17N5O3/c22-11-16-19(13-3-2-10-24-12-13)20-17(4-1-5-18(20)27)25(21(16)23)14-6-8-15(9-7-14)26(28)29/h2-3,6-10,12,19H,1,4-5,23H2/t19-/m0/s1