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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2-benzamido-2-keto-ethyl) ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6/c1-10-15(20(24)25)11(2)19(18-10)8-14(22)26-9-13(21)17-16(23)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,21,23)