methyl 5-chloranyl-4-[(1-methylpyridin-1-ium-2-yl)carbonylamino]-2-oxidanyl-benzoate chloride

Systemtic Name: methyl 5-chloranyl-4-[(1-methylpyridin-1-ium-2-yl)carbonylamino]-2-oxidanyl-benzoate chloride Openeye Name: methyl 5-chloro-2-hydroxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]benzoate chloride CAS Name: 5-chloro-2-hydroxy-4-[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 5-chloro-2-hydroxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]benzoate chloride Traditional Name: 5-chloro-2-hydroxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]benzoic acid methyl ester chloride Formula: C15H14Cl2N2O4 MolecularWeight: 357.18866

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)O)C(=O)OC)Cl.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)O)C(=O)OC)Cl.[Cl-]

InChI

InChI=1S/C15H13ClN2O4.ClH/c1-18-6-4-3-5-12(18)14(20)17-11-8-13(19)9(7-10(11)16)15(21)22-2;/h3-8H,1-2H3,(H-,17,19,20,21);1H