methyl 5-bromanyl-2-methyl-6-phenyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate

Systemtic Name: methyl 5-bromanyl-2-methyl-6-phenyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate Openeye Name: methyl 5-bromo-2-methyl-6-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate CAS Name: 5-bromo-2-methyl-6-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-methyl-6-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate Traditional Name: 5-bromo-2-methyl-6-phenyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester Formula: C13H12BrN4O2+ MolecularWeight: 336.16398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN4O2/c1-17-15-12-10(13(19)20-2)9(11(14)18(12)16-17)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1