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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-methoxy-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-methoxy-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-methoxy-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-methoxy-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-4-keto-7-methoxy-6-nitro-quinoline-3-carboxylic acid Formula: C17H11F2N3O6 MolecularWeight: 391.282546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)[N+](=O)[O-]

Isomeric SMILES

COC1=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/C17H11F2N3O6/c1-28-15-5-12-7(2-14(15)22(26)27)16(23)8(17(24)25)6-21(12)13-4-11(20)9(18)3-10(13)19/h2-6H,20H2,1H3,(H,24,25)