methyl 5-bromanyl-6-oxidanylidene-1-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-[(3S)-2-oxo-3-azepanyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-[(3S)-2-ketoazepan-3-yl]nicotinic acid methyl ester Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)C2CCCCNC2=O

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)[C@H]2CCCCNC2=O

InChI

InChI=1S/C13H15BrN2O4/c1-20-13(19)8-6-9(14)12(18)16(7-8)10-4-2-3-5-15-11(10)17/h6-7,10H,2-5H2,1H3,(H,15,17)/t10-/m0/s1