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

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(4-isopropylphenyl)-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-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)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-p-cumenyl-ethyl) ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-11(2)14-5-7-15(8-6-14)16(22)10-26-17(23)9-20-13(4)18(21(24)25)12(3)19-20/h5-8,11H,9-10H2,1-4H3