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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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 (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C24H21ClN2O5 MolecularWeight: 452.88694

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O5/c1-14-4-6-16(7-5-14)12-27-23(25)22(15(2)26-27)24(29)31-13-17-10-21(28)32-20-11-18(30-3)8-9-19(17)20/h4-11H,12-13H2,1-3H3