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

Systemtic Name: methyl 4-[[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1-tetrazolyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]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)CNC(=O)CN2C=NN=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NN=N2

InChI

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