ethyl 4-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(2-methyl-5-nitro-anilino)-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-(2-methyl-5-nitroanilino)-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-5-nitroanilino)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-4-(2-methyl-5-nitro-anilino)-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-3-29-22(26)21-18(15-7-5-4-6-8-15)11-16(12-20(21)25)23-19-13-17(24(27)28)10-9-14(19)2/h4-10,12-13,18,21,23H,3,11H2,1-2H3