7-[carboxy(2-oxidanylpropyl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[carboxy(2-oxidanylpropyl)amino]-1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[carboxy(2-hydroxypropyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[carboxy(2-hydroxypropyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[carboxy(2-hydroxypropyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[carboxy(2-hydroxypropyl)amino]-1-cyclopropyl-6-fluoro-4-keto-8-nitro-quinoline-3-carboxylic acid Formula: C17H16FN3O8 MolecularWeight: 409.322643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O8/c1-7(22)5-20(17(26)27)13-11(18)4-9-12(14(13)21(28)29)19(8-2-3-8)6-10(15(9)23)16(24)25/h4,6-8,22H,2-3,5H2,1H3,(H,24,25)(H,26,27)