[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-oxoethyl] ester IUPAC Name: [2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22N2O6/c1-14-20(21(26)24(23(14)2)16-8-6-5-7-9-16)17(25)13-30-22(27)15-10-11-18(28-3)19(12-15)29-4/h5-12H,13H2,1-4H3