[methyl-(2-oxidanylidenebutyl)-phenyl-azaniumyl]methanoate

Systemtic Name: [methyl-(2-oxidanylidenebutyl)-phenyl-azaniumyl]methanoate Openeye Name: [methyl-(2-oxobutyl)-phenyl-ammonio]formate CAS Name: [methyl-(2-oxobutyl)-phenylammonio]formate IUPAC Name: [methyl-(2-oxobutyl)-phenylazaniumyl]formate Traditional Name: (2-ketobutyl-methyl-phenyl-ammonio)formate Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-11(14)9-13(2,12(15)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3