1-cyclopropyl-6-fluoranyl-7-[1-methoxypropan-2-yl(3-oxidanylidenebutanoyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[1-methoxypropan-2-yl(3-oxidanylidenebutanoyl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[(2-methoxy-1-methyl-ethyl)-(3-oxobutanoyl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[1,3-dioxobutyl(1-methoxypropan-2-yl)amino]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[1-methoxypropan-2-yl(3-oxobutanoyl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[acetoacetyl-(2-methoxy-1-methyl-ethyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)C(=O)CC(=O)C

Isomeric SMILES

CC(COC)N(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)C(=O)CC(=O)C

InChI

InChI=1S/C21H23FN2O6/c1-11(10-30-3)24(19(26)6-12(2)25)18-8-17-14(7-16(18)22)20(27)15(21(28)29)9-23(17)13-4-5-13/h7-9,11,13H,4-6,10H2,1-3H3,(H,28,29)