[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CC3CC2C=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CC3CC2C=C3

InChI

InChI=1S/C17H18N2O5/c1-10(24-17(21)15-8-11-5-6-12(15)7-11)16(20)18-13-3-2-4-14(9-13)19(22)23/h2-6,9-12,15H,7-8H2,1H3,(H,18,20)