[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C22H14BrNO5 MolecularWeight: 452.25426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrNO5/c1-27-18-7-6-14(12-16(18)23)20-21(29-22(26)13-8-10-24-11-9-13)19(25)15-4-2-3-5-17(15)28-20/h2-12H,1H3