(phenylmethyl) 2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-25-14-13(11-27-16(14)20(23)24)15(21)18-8-5-9-19(18)17(22)26-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3