7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(4-fluorophenyl)-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C27H21ClFN3O6 MolecularWeight: 537.923543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C27H21ClFN3O6/c28-17-3-1-16(2-4-17)27(36)9-11-30(12-10-27)23-14-22-20(13-24(23)32(37)38)25(33)21(26(34)35)15-31(22)19-7-5-18(29)6-8-19/h1-8,13-15,36H,9-12H2,(H,34,35)