3-bromanyl-4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-[2-(cyanomethylamino)-2-oxo-ethoxy]-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[2-(cyanomethylamino)-2-oxoethoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(cyanomethylamino)-2-oxoethoxy]-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[2-(cyanomethylamino)-2-keto-ethoxy]-5-methoxy-benzoic acid Formula: C12H11BrN2O5 MolecularWeight: 343.13014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NCC#N

InChI

InChI=1S/C12H11BrN2O5/c1-19-9-5-7(12(17)18)4-8(13)11(9)20-6-10(16)15-3-2-14/h4-5H,3,6H2,1H3,(H,15,16)(H,17,18)