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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-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(=C(C=C1)C(=O)OCC(=O)NCCC#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCC#N)O

InChI

InChI=1S/C13H14N2O4/c1-9-3-4-10(11(16)7-9)13(18)19-8-12(17)15-6-2-5-14/h3-4,7,16H,2,6,8H2,1H3,(H,15,17)