(phenylmethyl) 2-[3-[(4-nitrophenyl)carbonylamino]propanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[3-[(4-nitrophenyl)carbonylamino]propanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carboxylate CAS Name: 2-[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carboxylate Traditional Name: 2-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c26-19(11-12-22-20(27)17-7-9-18(10-8-17)25(29)30)23-13-4-14-24(23)21(28)31-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,22,27)