(4-oxidanylidene-4-phenyl-butyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-oxo-4-phenyl-butyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-keto-4-phenyl-butyl) ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-12-17(20(23)24)13(2)19(18-12)11-16(22)25-10-6-9-15(21)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3