[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C15H12Cl2N2O4 MolecularWeight: 355.17278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12Cl2N2O4/c1-9-2-3-11(16)14(13(9)17)18-12(20)8-23-15(21)10-4-6-19(22)7-5-10/h2-7H,8H2,1H3,(H,18,20)