methyl 3-[2-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-(4-pyridyl)tetrazol-2-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(5-pyridin-4-yl-2-tetrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[5-(4-pyridyl)tetrazol-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2N=C(N=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2N=C(N=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N6O3/c1-25-16(24)12-3-2-4-13(9-12)18-14(23)10-22-20-15(19-21-22)11-5-7-17-8-6-11/h2-9H,10H2,1H3,(H,18,23)