3-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(6-chloro-1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-chloro-1-oxidopyridin-1-ium-3-carbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-chloro-1-oxido-pyridin-1-ium-3-carbonyl)amino]-4-methyl-benzoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4/c1-8-2-3-9(14(19)20)6-11(8)16-13(18)10-4-5-12(15)17(21)7-10/h2-7H,1H3,(H,16,18)(H,19,20)