[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)N2CCCC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N2CCCC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c1-8-13(17(21)22)9(2)16(14-8)6-12(20)23-7-11(19)15-5-3-4-10(15)18/h3-7H2,1-2H3