(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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