(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(4-isopropylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-p-cumenyl-1-phenyl-pyrazole-4-carboxylic acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H23ClN2O4 MolecularWeight: 498.95692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)C(C)C)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN(N=C3C4=CC=C(C=C4)C(C)C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H23ClN2O4/c1-17(2)19-9-11-20(12-10-19)27-24(16-32(31-27)21-7-5-4-6-8-21)28(33)35-22-13-14-23-18(3)26(30)29(34)36-25(23)15-22/h4-17H,1-3H3