3-bromanyl-5-methoxy-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 3-bromo-5-methoxy-4-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 3-bromo-5-methoxy-4-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 3-bromo-4-(2-ketoazepan-3-yl)oxy-5-methoxy-benzoic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OC2CCCCNC2=O

InChI

InChI=1S/C14H16BrNO5/c1-20-11-7-8(14(18)19)6-9(15)12(11)21-10-4-2-3-5-16-13(10)17/h6-7,10H,2-5H2,1H3,(H,16,17)(H,18,19)