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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-nitro-7-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-hydroxy-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-hydroxy-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-hydroxy-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-hydroxy-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C16H9F2N3O6 MolecularWeight: 377.255966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9F2N3O6/c17-8-2-9(18)12(3-10(8)19)20-5-7(16(24)25)15(23)6-1-13(21(26)27)14(22)4-11(6)20/h1-5,22H,19H2,(H,24,25)