[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6/c1-15(21(27)23-18-7-9-19(10-8-18)25(29)30)31-22(28)17-13-20(26)24(14-17)12-11-16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,23,27)