[2-[5,6-bis(oxidanyl)-4H-chromen-3-yl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-[5,6-bis(oxidanyl)-4H-chromen-3-yl]phenyl] pyridine-3-carboxylate Openeye Name: [2-(5,6-dihydroxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(5,6-dihydroxy-4H-1-benzopyran-3-yl)phenyl] ester IUPAC Name: [2-(5,6-dihydroxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(5,6-dihydroxy-4H-chromen-3-yl)phenyl] ester Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=COC2=C1C(=C(C=C2)O)O)C3=CC=CC=C3OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1C(=COC2=C1C(=C(C=C2)O)O)C3=CC=CC=C3OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H15NO5/c23-17-7-8-18-16(20(17)24)10-14(12-26-18)15-5-1-2-6-19(15)27-21(25)13-4-3-9-22-11-13/h1-9,11-12,23-24H,10H2