(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN=C3)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN=C3)Br)O

InChI

InChI=1S/C18H14BrNO5/c1-2-10-4-14-12(5-17(22)25-16(14)6-15(10)21)9-24-18(23)11-3-13(19)8-20-7-11/h3-8,21H,2,9H2,1H3