[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCC#N)N2C=NC=N2

InChI

InChI=1S/C14H13N5O3/c15-6-1-7-17-13(20)8-22-14(21)11-2-4-12(5-3-11)19-10-16-9-18-19/h2-5,9-10H,1,7-8H2,(H,17,20)