2-[2,5-bis(fluoranyl)-4-[(1-methylindol-1-ium-1-yl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[2,5-bis(fluoranyl)-4-[(1-methylindol-1-ium-1-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[2,5-difluoro-4-[(1-methylindol-1-ium-1-carbonyl)amino]phenyl]acetic acid CAS Name: 2-[2,5-difluoro-4-[[(1-methyl-1-indol-1-iumyl)-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[2,5-difluoro-4-[(1-methylindol-1-ium-1-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[2,5-difluoro-4-[(1-methylindol-1-ium-1-carbonyl)amino]phenyl]acetic acid Formula: C18H15F2N2O3+ MolecularWeight: 345.320106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)F

Isomeric SMILES

C[N+]1(C=CC2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)F

InChI

InChI=1S/C18H14F2N2O3/c1-22(7-6-11-4-2-3-5-16(11)22)18(25)21-15-10-13(19)12(8-14(15)20)9-17(23)24/h2-8,10H,9H2,1H3,(H-,21,23,24,25)/p+1