1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-6-fluoro-8-methoxy-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C27H25FN4O9 MolecularWeight: 568.507203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)N4CCN(CC4)C(=O)C5COC6=CC=CC=C6O5

InChI

InChI=1S/C27H25FN4O9/c1-39-25-22-19(24(33)15(27(35)36)12-31(22)14-6-7-14)21(32(37)38)20(28)23(25)29-8-10-30(11-9-29)26(34)18-13-40-16-4-2-3-5-17(16)41-18/h2-5,12,14,18H,6-11,13H2,1H3,(H,35,36)