(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O5/c22-18-4-2-1-3-13(18)10-24-11-15(9-23-24)21(27)28-12-14-7-20(26)29-19-8-16(25)5-6-17(14)19/h1-9,11,25H,10,12H2