(phenylmethyl) 2-(5-acetamido-2-nitro-phenyl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(5-acetamido-2-nitro-phenyl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(5-acetamido-2-nitro-benzoyl)pyrazolidine-1-carboxylate CAS Name: 2-[(5-acetamido-2-nitrophenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-acetamido-2-nitrobenzoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(5-acetamido-2-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=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6/c1-14(25)21-16-8-9-18(24(28)29)17(12-16)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)