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

Systemtic Name: (4S)-2-methyl-4-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S)-2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S)-2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S)-5-keto-2-methyl-4-(2-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=CC=C3[N+](=O)[O-])C(=O)CCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-10-12(9-18)16(11-5-2-3-7-14(11)20(22)23)17-13(19-10)6-4-8-15(17)21/h2-3,5,7,12,16H,4,6,8H2,1H3/t12?,16-/m1/s1