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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: [2-(2-cyano-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-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-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-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1C2CC(C1C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N3O5/c18-8-12-7-13(20(23)24)3-4-15(12)19-16(21)9-25-17(22)14-6-10-1-2-11(14)5-10/h1-4,7,10-11,14H,5-6,9H2,(H,19,21)