[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O7/c1-30-16-7-8-18(24(28)29)17(10-16)22-19(25)13-31-21(27)15-9-20(26)23(12-15)11-14-5-3-2-4-6-14/h2-8,10,15H,9,11-13H2,1H3,(H,22,25)