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

Systemtic Name: methyl 5-ethanoyl-2,6-dimethyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate Openeye Name: methyl 5-acetyl-2,6-dimethyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate CAS Name: 5-acetyl-2,6-dimethyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2,6-dimethyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate Traditional Name: 5-acetyl-2,6-dimethyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester Formula: C10H13N4O3+ MolecularWeight: 237.23522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NN(N[N+]2=C1C(=O)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=NN(N[N+]2=C1C(=O)C)C)C(=O)OC

InChI

InChI=1S/C10H12N4O3/c1-5-7(10(16)17-4)9-11-13(3)12-14(9)8(5)6(2)15/h1-4H3/p+1