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

Systemtic Name: methyl 3-methyl-4-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 3-methyl-4-[3-(tetrazol-1-yl)propanoylamino]benzoate CAS Name: 3-methyl-4-[[1-oxo-3-(1-tetrazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[3-(tetrazol-1-yl)propanoylamino]benzoate Traditional Name: 3-methyl-4-[3-(tetrazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCN2C=NN=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCN2C=NN=N2

InChI

InChI=1S/C13H15N5O3/c1-9-7-10(13(20)21-2)3-4-11(9)15-12(19)5-6-18-8-14-16-17-18/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)