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

Systemtic Name: [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-butan-2-yl] 4-chloranylbenzoate Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbonyl)propyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carbonyl)propyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-4-18(29-22(28)15-10-12-16(23)13-11-15)20(26)19-14(2)24(3)25(21(19)27)17-8-6-5-7-9-17/h5-13,18H,4H2,1-3H3