[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC3CC2C=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC3CC2C=C3

InChI

InChI=1S/C17H18N2O6/c1-24-15-8-12(19(22)23)4-5-14(15)18-16(20)9-25-17(21)13-7-10-2-3-11(13)6-10/h2-5,8,10-11,13H,6-7,9H2,1H3,(H,18,20)