1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-(methylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-(methylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-(methylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-(methylamino)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-(methylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-4-keto-7-(methylamino)-6-nitro-quinoline-3-carboxylic acid Formula: C17H12F2N4O5 MolecularWeight: 390.297786

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12F2N4O5/c1-21-12-5-13-7(2-15(12)23(27)28)16(24)8(17(25)26)6-22(13)14-4-11(20)9(18)3-10(14)19/h2-6,21H,20H2,1H3,(H,25,26)