[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-19-9-3-4-10(11(16)7-9)13(18)20-8-12(17)15-6-2-5-14/h3-4,7,16H,2,6,8H2,1H3,(H,15,17)