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

Systemtic Name: [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-18(20(25)23(22(14)3)17-12-8-5-9-13-17)19(24)15(2)27-21(26)16-10-6-4-7-11-16/h4-13,15H,1-3H3