(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

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