(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

InChI

InChI=1S/C23H19ClN2O5/c1-13-3-5-15(6-4-13)11-26-22(24)21(14(2)25-26)23(29)30-12-16-9-20(28)31-19-10-17(27)7-8-18(16)19/h3-10,27H,11-12H2,1-2H3