methyl 4-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(tetrazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(1-tetrazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(tetrazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(tetrazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NN=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NN=N2

InChI

InChI=1S/C12H13N5O3/c1-20-12(19)9-2-4-10(5-3-9)14-11(18)6-7-17-8-13-15-16-17/h2-5,8H,6-7H2,1H3,(H,14,18)