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

Systemtic Name: [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate Openeye Name: [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxopropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-14-19(21(26)24(23(14)3)17-8-6-5-7-9-17)20(25)15(2)29-22(27)16-10-12-18(28-4)13-11-16/h5-13,15H,1-4H3