[2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-12-6-5-7-14(13(12)2)20-16(22)10-19-17(23)11-26-18(24)15-8-3-4-9-21(15)25/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,22)