[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-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-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-10(26-18(22)14-8-11-3-4-12(14)7-11)17(21)19-15-9-13(20(23)24)5-6-16(15)25-2/h3-6,9-12,14H,7-8H2,1-2H3,(H,19,21)