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

Systemtic Name: 4-methyl-3-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoate Openeye Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(1-tetrazolyl)propyl]amino]benzoate IUPAC Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoate Formula: C12H12N5O3- MolecularWeight: 274.25538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C=NN=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCN2C=NN=N2

InChI

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