[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C36H31ClN4O5 MolecularWeight: 635.10814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C36H31ClN4O5/c1-4-45-30-21-24(19-20-29(30)46-36(44)27-17-11-12-18-28(27)37)33(31-22(2)38-40(34(31)42)25-13-7-5-8-14-25)32-23(3)39-41(35(32)43)26-15-9-6-10-16-26/h5-21,33,38-39H,4H2,1-3H3