(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H16N2O5/c1-13-18(11-22-23(13)15-5-3-2-4-6-15)21(26)27-12-14-9-20(25)28-19-10-16(24)7-8-17(14)19/h2-11,24H,12H2,1H3