[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C23H16BrNO6 MolecularWeight: 482.28024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CN=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CN=CC=C4)Br)OC

InChI

InChI=1S/C23H16BrNO6/c1-28-18-11-14(10-16(24)21(18)29-2)20-22(31-23(27)13-6-5-9-25-12-13)19(26)15-7-3-4-8-17(15)30-20/h3-12H,1-2H3