2-[5-chloranyl-2-fluoranyl-4-[(1-methylindazol-1-ium-1-yl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-fluoranyl-4-[(1-methylindazol-1-ium-1-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[5-chloro-2-fluoro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]acetic acid CAS Name: 2-[5-chloro-2-fluoro-4-[[(1-methyl-1-indazol-1-iumyl)-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[5-chloro-2-fluoro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[5-chloro-2-fluoro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]acetic acid Formula: C17H14ClFN3O3+ MolecularWeight: 362.762763

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C=N1)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)Cl

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C=N1)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)Cl

InChI

InChI=1S/C17H13ClFN3O3/c1-22(15-5-3-2-4-10(15)9-20-22)17(25)21-14-8-13(19)11(6-12(14)18)7-16(23)24/h2-6,8-9H,7H2,1H3,(H-,21,23,24,25)/p+1