[2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[2-(2,5-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H21N3O5/c1-13-7-8-14(2)15(10-13)20-17(23)11-21(3)18(24)12-27-19(25)16-6-4-5-9-22(16)26/h4-10H,11-12H2,1-3H3,(H,20,23)