1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 1-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-4-methyl-6-(4-nitrophenyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)N3C(=CC(=N3)C)C)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)N3C(=CC(=N3)C)C)C(=O)O

InChI

InChI=1S/C20H21N3O5/c1-12-8-9-20(19(25)26,18(24)22-14(3)11-13(2)21-22)17(10-12)15-4-6-16(7-5-15)23(27)28/h4-8,11,17H,9-10H2,1-3H3,(H,25,26)