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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(1-carboxy-2-methyl-propyl)amino]-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(1-carboxy-2-methyl-propyl)amino]-1-cyclopropyl-6-fluoro-4-keto-8-nitro-quinoline-3-carboxylic acid Formula: C18H18FN3O7 MolecularWeight: 407.349823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O7/c1-7(2)12(18(26)27)20-13-11(19)5-9-14(15(13)22(28)29)21(8-3-4-8)6-10(16(9)23)17(24)25/h5-8,12,20H,3-4H2,1-2H3,(H,24,25)(H,26,27)