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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=NN=N2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=NN=N2

InChI

InChI=1S/C14H17N5O3/c1-2-3-8-15-13(20)9-22-14(21)11-4-6-12(7-5-11)19-10-16-17-18-19/h4-7,10H,2-3,8-9H2,1H3,(H,15,20)