(6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 5-bromanylpyridine-3-carboxylate Openeye Name: (6-chloro-7-methyl-4-oxo-2-phenyl-chromen-3-yl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (6-chloro-7-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (6-chloro-4-keto-7-methyl-2-phenyl-chromen-3-yl) ester Formula: C22H13BrClNO4 MolecularWeight: 470.69992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H13BrClNO4/c1-12-7-18-16(9-17(12)24)19(26)21(20(28-18)13-5-3-2-4-6-13)29-22(27)14-8-15(23)11-25-10-14/h2-11H,1H3