(2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid Openeye Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[2-(2-nitrophenyl)-6-quinolyl]propanoic acid CAS Name: (2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-[2-(2-nitrophenyl)-6-quinolinyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid Traditional Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[2-(2-nitrophenyl)-6-quinolyl]propionic acid Formula: C25H17F2N3O5 MolecularWeight: 477.416386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(C=C2)C=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(C=C2)C=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4F)F)[N+](=O)[O-]

InChI

InChI=1S/C25H17F2N3O5/c26-17-5-3-6-18(27)23(17)24(31)29-21(25(32)33)13-14-8-10-19-15(12-14)9-11-20(28-19)16-4-1-2-7-22(16)30(34)35/h1-12,21H,13H2,(H,29,31)(H,32,33)/t21-/m0/s1