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

Systemtic Name: methyl 5-ethanoyl-2-methyl-3H-pyrrolo[2,1-e][1,2,3,4]tetrazol-4-ium-7-carboxylate Openeye Name: methyl 5-acetyl-2-methyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate CAS Name: 5-acetyl-2-methyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-methyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylate Traditional Name: 5-acetyl-2-methyl-3H-pyrrolo[2,1-e]tetrazol-4-ium-7-carboxylic acid methyl ester Formula: C9H11N4O3+ MolecularWeight: 223.20864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+]2C(=NN(N2)C)C(=C1)C(=O)OC

Isomeric SMILES

CC(=O)C1=[N+]2C(=NN(N2)C)C(=C1)C(=O)OC

InChI

InChI=1S/C9H10N4O3/c1-5(14)7-4-6(9(15)16-3)8-10-12(2)11-13(7)8/h4H,1-3H3/p+1