(phenylmethyl) 1-(2-azanylethanoyl)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-azanylethanoyl)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-(2-aminoacetyl)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-1-oxoethyl)-2-[(4-nitroanilino)-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-aminoacetyl)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylate Traditional Name: 1-glycyl-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)CN)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O6/c22-13-18(26)24-12-4-11-21(24,20(28)31-14-15-5-2-1-3-6-15)19(27)23-16-7-9-17(10-8-16)25(29)30/h1-3,5-10H,4,11-14,22H2,(H,23,27)