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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-[azanyl(methyl)amino]-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-[amino(methyl)amino]-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-[amino(methyl)amino]-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-[amino(methyl)amino]-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-[amino(methyl)amino]-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C17H13F2N5O5 MolecularWeight: 405.312426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2N5O5/c1-22(21)14-5-12-7(2-15(14)24(28)29)16(25)8(17(26)27)6-23(12)13-4-11(20)9(18)3-10(13)19/h2-6H,20-21H2,1H3,(H,26,27)