[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12N6O3/c14-5-2-6-15-12(20)8-22-13(21)10-3-1-4-11(7-10)19-9-16-17-18-19/h1,3-4,7,9H,2,6,8H2,(H,15,20)