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

Systemtic Name: methyl 2-ethyl-5-phenyl-3H-imidazo[5,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate Openeye Name: methyl 2-ethyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylate CAS Name: 2-ethyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylate Traditional Name: 2-ethyl-5-phenyl-3H-imidazo[5,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester Formula: C13H14N5O2+ MolecularWeight: 272.28256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N[N+]2=C(N=C(C2=N1)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1N[N+]2=C(N=C(C2=N1)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C13H13N5O2/c1-3-17-15-12-10(13(19)20-2)14-11(18(12)16-17)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/p+1