methyl (1S,6R)-6-methyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-6-methyl-4-[(3-nitrophenyl)amino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-6-methyl-4-(3-nitroanilino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-(3-nitroanilino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5/c1-9-6-11(8-13(18)14(9)15(19)22-2)16-10-4-3-5-12(7-10)17(20)21/h3-5,7-9,14,16H,6H2,1-2H3/t9-,14+/m1/s1