[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H20N4O5/c1-13-2-5-20-17(8-13)18-10-14(3-6-21(18)25-20)23(29)32-12-22(28)26-19-7-4-16(27(30)31)9-15(19)11-24/h3-4,6-7,9-10,13,25H,2,5,8,12H2,1H3,(H,26,28)/t13-/m0/s1