[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H14N2O4/c1-9-4-2-5-10(12(9)17)13(18)19-8-11(16)15-7-3-6-14/h2,4-5,17H,3,7-8H2,1H3,(H,15,16)