[6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate

Systemtic Name: [6,8-bis(chloranyl)-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate Openeye Name: [6,8-dichloro-4-oxo-2-(p-tolyl)chromen-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6,8-dichloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [6,8-dichloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C22H13Cl2NO4 MolecularWeight: 426.24892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Cl)Cl)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=CC(=C3O2)Cl)Cl)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H13Cl2NO4/c1-12-2-4-13(5-3-12)19-21(29-22(27)14-6-8-25-9-7-14)18(26)16-10-15(23)11-17(24)20(16)28-19/h2-11H,1H3