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

Systemtic Name: (4S)-2-azanyl-1-(2-methyl-4-nitro-phenyl)-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(2-methyl-4-nitro-phenyl)-4-(5-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(2-methyl-4-nitrophenyl)-4-(5-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-(2-methyl-4-nitro-phenyl)-4-(5-nitro-2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C3=C([C@H](C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3

InChI

InChI=1S/C21H17N5O5S/c1-11-9-12(25(28)29)5-6-14(11)24-15-3-2-4-16(27)20(15)19(13(10-22)21(24)23)17-7-8-18(32-17)26(30)31/h5-9,19H,2-4,23H2,1H3/t19-/m1/s1