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

Systemtic Name: [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate Openeye Name: [2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-ethyl] ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-13-18(20(26)24(23(13)3)17-7-5-4-6-8-17)19(25)14(2)28-21(27)15-9-11-16(22)12-10-15/h4-12,14H,1-3H3