[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[2-(2,6-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)C)NC(=O)CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

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

InChI

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