methyl 2-methyl-5-phenyl-3H-imidazo[5,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate

Systemtic Name: methyl 2-methyl-5-phenyl-3H-imidazo[5,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate Openeye Name: methyl 2-methyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylate CAS Name: 2-methyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylate Traditional Name: 2-methyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester Formula: C12H12N5O2+ MolecularWeight: 258.25598

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Descriptors Computed from Structure

Canonical SMILES:

CN1N[N+]2=C(N=C(C2=N1)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1N[N+]2=C(N=C(C2=N1)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C12H11N5O2/c1-16-14-11-9(12(18)19-2)13-10(17(11)15-16)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1