[3-(2-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-4-carboxylate

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-4-carboxylate Openeye Name: [3-(2-bromophenoxy)-4-oxo-chromen-7-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3-(2-bromophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-4-oxochromen-7-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [3-(2-bromophenoxy)-4-keto-chromen-7-yl] ester Formula: C21H12BrNO5 MolecularWeight: 438.22768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=NC=C4)Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=NC=C4)Br

InChI

InChI=1S/C21H12BrNO5/c22-16-3-1-2-4-17(16)28-19-12-26-18-11-14(5-6-15(18)20(19)24)27-21(25)13-7-9-23-10-8-13/h1-12H