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

Systemtic Name: (4S)-2-azanyl-1-(4-nitrophenyl)-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(4-nitrophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-(4-nitrophenyl)-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H18N4O3 MolecularWeight: 386.40332

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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=CC=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=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C22H18N4O3/c23-13-17-20(14-5-2-1-3-6-14)21-18(7-4-8-19(21)27)25(22(17)24)15-9-11-16(12-10-15)26(28)29/h1-3,5-6,9-12,20H,4,7-8,24H2/t20-/m0/s1