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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C18H13BrClNO4 MolecularWeight: 422.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CN=C3)Br)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CN=C3)Br)Cl

InChI

InChI=1S/C18H13BrClNO4/c1-2-10-4-16-14(6-15(10)20)12(5-17(22)25-16)9-24-18(23)11-3-13(19)8-21-7-11/h3-8H,2,9H2,1H3