8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R)-3-[(3-nitrophenyl)methylideneamino]azepan-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R)-3-[(3-nitrophenyl)methylideneamino]azepan-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[(3R)-3-[(3-nitrophenyl)methyleneamino]azepan-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[(3R)-3-[(3-nitrophenyl)methylideneamino]-1-azepanyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[(3R)-3-[(3-nitrophenyl)methylideneamino]azepan-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[(3R)-3-[(3-nitrobenzylidene)amino]azepan-1-yl]quinoline-3-carboxylic acid Formula: C26H24ClFN4O5 MolecularWeight: 526.943963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

C1CCN(C[C@@H](C1)N=CC2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H24ClFN4O5/c27-22-23-19(25(33)20(26(34)35)14-31(23)17-7-8-17)11-21(28)24(22)30-9-2-1-5-16(13-30)29-12-15-4-3-6-18(10-15)32(36)37/h3-4,6,10-12,14,16-17H,1-2,5,7-9,13H2,(H,34,35)/t16-/m1/s1