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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3/c1-2-7-14-12(19)8-21-13(20)10-3-5-11(6-4-10)18-9-15-16-17-18/h2-6,9H,1,7-8H2,(H,14,19)