[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H15N3O4/c1-10(18)17-12-5-2-4-11(8-12)14(20)21-9-13(19)16-7-3-6-15/h2,4-5,8H,3,7,9H2,1H3,(H,16,19)(H,17,18)