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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-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-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

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