(4S)-2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-5-keto-2-methyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C#N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CCC2

InChI

InChI=1S/C17H15N3O3/c1-10-13(9-18)16(11-5-7-12(8-6-11)20(22)23)17-14(19-10)3-2-4-15(17)21/h5-8,13,16H,2-4H2,1H3/t13?,16-/m1/s1