[3-(4-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-chloranyl-1,3-diphenyl-pyrazole-4-carboxylate

Systemtic Name: [3-(4-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 5-chloranyl-1,3-diphenyl-pyrazole-4-carboxylate Openeye Name: [3-(4-methylphenoxy)-4-oxo-chromen-7-yl] 5-chloro-1,3-diphenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-diphenyl-4-pyrazolecarboxylic acid [3-(4-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methylphenoxy)-4-oxochromen-7-yl] 5-chloro-1,3-diphenylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-diphenyl-pyrazole-4-carboxylic acid [4-keto-3-(4-methylphenoxy)chromen-7-yl] ester Formula: C32H21ClN2O5 MolecularWeight: 548.97254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C32H21ClN2O5/c1-20-12-14-23(15-13-20)39-27-19-38-26-18-24(16-17-25(26)30(27)36)40-32(37)28-29(21-8-4-2-5-9-21)34-35(31(28)33)22-10-6-3-7-11-22/h2-19H,1H3