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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C22H18N2O5/c1-13-9-10-23-24(13)17-5-3-15(4-6-17)22(27)28-12-16-11-20(26)29-21-14(2)19(25)8-7-18(16)21/h3-11,25H,12H2,1-2H3