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

Systemtic Name: 3-bromanyl-4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[2-(2-cyanoethylamino)-2-keto-ethoxy]-5-methoxy-benzoic acid Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O5/c1-20-10-6-8(13(18)19)5-9(14)12(10)21-7-11(17)16-4-2-3-15/h5-6H,2,4,7H2,1H3,(H,16,17)(H,18,19)