(4S)-2-azanyl-1-(4-methoxy-2-nitro-phenyl)-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(4-methoxy-2-nitro-phenyl)-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(4-methoxy-2-nitro-phenyl)-4-(5-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-(4-methoxy-2-nitro-phenyl)-4-(5-nitro-2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C3=C([C@H](C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O6S/c1-32-11-5-6-13(15(9-11)25(28)29)24-14-3-2-4-16(27)20(14)19(12(10-22)21(24)23)17-7-8-18(33-17)26(30)31/h5-9,19H,2-4,23H2,1H3/t19-/m1/s1