(phenylmethyl) 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C17H19N5O5/c1-12-14(22(25)26)15(19(2)18-12)16(23)20-9-6-10-21(20)17(24)27-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3