methyl 6-(4-acetamido-3-nitro-phenyl)-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 6-(4-acetamido-3-nitro-phenyl)-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 6-(4-acetamido-3-nitro-phenyl)-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 6-(4-acetamido-3-nitrophenyl)-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-acetamido-3-nitrophenyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 6-(4-acetamido-3-nitro-phenyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1C(=O)OC)C2=CC(=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)CC(C1C(=O)OC)C2=CC(=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-9-6-12(21)8-13(16(9)17(22)25-3)11-4-5-14(18-10(2)20)15(7-11)19(23)24/h4-7,13,16H,8H2,1-3H3,(H,18,20)