4-[3-azanyl-4-[2,4-bis(fluoranyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-azanyl-4-[2,4-bis(fluoranyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxido-pyridin-1-ium-2-yl]-3-methyl-benzoic acid CAS Name: 4-[3-amino-4-[(2,4-difluorophenyl)-oxomethyl]-1-oxido-2-pyridin-1-iumyl]-3-methylbenzoic acid IUPAC Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxidopyridin-1-ium-2-yl]-3-methylbenzoic acid Traditional Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxido-pyridin-1-ium-2-yl]-3-methyl-benzoic acid Formula: C20H14F2N2O4 MolecularWeight: 384.332966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=[N+](C=CC(=C2N)C(=O)C3=C(C=C(C=C3)F)F)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=[N+](C=CC(=C2N)C(=O)C3=C(C=C(C=C3)F)F)[O-]

InChI

InChI=1S/C20H14F2N2O4/c1-10-8-11(20(26)27)2-4-13(10)18-17(23)15(6-7-24(18)28)19(25)14-5-3-12(21)9-16(14)22/h2-9H,23H2,1H3,(H,26,27)