7-[carboxy(3-methylbutyl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[carboxy(3-methylbutyl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[carboxy(isopentyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[carboxy(3-methylbutyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[carboxy(3-methylbutyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[carboxy(isoamyl)amino]-1-cyclopropyl-6-fluoro-4-keto-8-nitro-quinoline-3-carboxylic acid Formula: C19H20FN3O7 MolecularWeight: 421.376403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O7/c1-9(2)5-6-21(19(27)28)15-13(20)7-11-14(16(15)23(29)30)22(10-3-4-10)8-12(17(11)24)18(25)26/h7-10H,3-6H2,1-2H3,(H,25,26)(H,27,28)