[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C=O)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12N2O4/c14-6-1-7-15-12(17)9-19-13(18)11-4-2-10(8-16)3-5-11/h2-5,8H,1,7,9H2,(H,15,17)