methyl 3-pyrrol-1-yl-5-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: methyl 3-pyrrol-1-yl-5-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: methyl 3-pyrrol-1-yl-5-(2H-tetrazol-5-yl)benzoate CAS Name: 3-(1-pyrrolyl)-5-(2H-tetrazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 3-pyrrol-1-yl-5-(2H-tetrazol-5-yl)benzoate Traditional Name: 3-pyrrol-1-yl-5-(2H-tetrazol-5-yl)benzoic acid methyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=NNN=N2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=NNN=N2)N3C=CC=C3

InChI

InChI=1S/C13H11N5O2/c1-20-13(19)10-6-9(12-14-16-17-15-12)7-11(8-10)18-4-2-3-5-18/h2-8H,1H3,(H,14,15,16,17)