(4-pyrazol-1-ylphenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H16N2O4/c1-14-3-8-19-17(11-14)18(24)12-20(27-19)21(25)26-13-15-4-6-16(7-5-15)23-10-2-9-22-23/h2-12H,13H2,1H3