[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 3,4-bis(chloranyl)benzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C34H26Cl2N4O4 MolecularWeight: 625.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)Cl)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)Cl)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H26Cl2N4O4/c1-20-29(32(41)39(37-20)24-9-5-3-6-10-24)31(30-21(2)38-40(33(30)42)25-11-7-4-8-12-25)22-13-16-26(17-14-22)44-34(43)23-15-18-27(35)28(36)19-23/h3-19,31,37-38H,1-2H3