propan-2-yl 2-methyl-1-oxidanidyl-pyrrol-1-ium-2-carboxylate

Systemtic Name: propan-2-yl 2-methyl-1-oxidanidyl-pyrrol-1-ium-2-carboxylate Openeye Name: isopropyl 2-methyl-1-oxido-pyrrol-1-ium-2-carboxylate CAS Name: 2-methyl-1-oxido-2-pyrrol-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-1-oxidopyrrol-1-ium-2-carboxylate Traditional Name: 2-methyl-1-oxido-pyrrol-1-ium-2-carboxylic acid isopropyl ester Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(C=CC=[N+]1[O-])C

Isomeric SMILES

CC(C)OC(=O)C1(C=CC=[N+]1[O-])C

InChI

InChI=1S/C9H13NO3/c1-7(2)13-8(11)9(3)5-4-6-10(9)12/h4-7H,1-3H3