1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C30H24FN3O8 MolecularWeight: 573.525263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-])F)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4

InChI

InChI=1S/C30H24FN3O8/c1-41-28-22(17-7-8-18-12-32(13-19(18)11-17)30(38)42-15-16-5-3-2-4-6-16)24(31)25(34(39)40)23-26(28)33(20-9-10-20)14-21(27(23)35)29(36)37/h2-8,11,14,20H,9-10,12-13,15H2,1H3,(H,36,37)