7-[(6-acetamido-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(6-acetamido-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(5-acetamido-1-carboxy-pentyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(6-acetamido-1-hydroxy-1-oxohexan-2-yl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(6-acetamido-1-hydroxy-1-oxohexan-2-yl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(5-acetamido-1-carboxy-pentyl)amino]-1-cyclopropyl-6-fluoro-4-keto-8-nitro-quinoline-3-carboxylic acid Formula: C21H23FN4O8 MolecularWeight: 478.427723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)O)NC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CC(=O)NCCCCC(C(=O)O)NC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C21H23FN4O8/c1-10(27)23-7-3-2-4-15(21(31)32)24-16-14(22)8-12-17(18(16)26(33)34)25(11-5-6-11)9-13(19(12)28)20(29)30/h8-9,11,15,24H,2-7H2,1H3,(H,23,27)(H,29,30)(H,31,32)