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

Systemtic Name: methyl 4-[(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)methyl]benzoate Openeye Name: methyl 4-[[5-(4-pyridyl)tetrazol-2-yl]methyl]benzoate CAS Name: 4-[(5-pyridin-4-yl-2-tetrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-pyridin-4-yltetrazol-2-yl)methyl]benzoate Traditional Name: 4-[[5-(4-pyridyl)tetrazol-2-yl]methyl]benzoic acid methyl ester Formula: C15H13N5O2 MolecularWeight: 295.29602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2/c1-22-15(21)13-4-2-11(3-5-13)10-20-18-14(17-19-20)12-6-8-16-9-7-12/h2-9H,10H2,1H3