(phenylmethyl) 2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carboxylate CAS Name: 2-[(4-acetamido-3-nitrophenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-acetamido-3-nitrobenzoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-14(25)21-17-9-8-16(12-18(17)24(28)29)19(26)22-10-5-11-23(22)20(27)30-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,25)