(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CN=C(C=C3)N4C=CC=N4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CN=C(C=C3)N4C=CC=N4)O

InChI

InChI=1S/C20H15N3O5/c1-12-16(24)5-4-15-14(9-18(25)28-19(12)15)11-27-20(26)13-3-6-17(21-10-13)23-8-2-7-22-23/h2-10,24H,11H2,1H3