2-[[(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(7-fluoro-2-methyl-quinoline-3-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(7-fluoro-2-methylquinoline-3-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(7-fluoro-2-methyl-quinoline-3-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C18H13FN3O4- MolecularWeight: 354.311923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H14FN3O4/c1-10-15(7-11-2-3-13(19)8-16(11)21-10)18(24)20-9-12-6-14(22(25)26)4-5-17(12)23/h2-8,23H,9H2,1H3,(H,20,24)/p-1