2-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid

Systemtic Name: 2-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid Openeye Name: 2-[[methyl-[2-(methylamino)-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 2-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid Traditional Name: 2-[[[2-keto-2-(methylamino)ethyl]-methyl-amino]methyl]benzoic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CNC(=O)CN(C)CC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H16N2O3/c1-13-11(15)8-14(2)7-9-5-3-4-6-10(9)12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)