4-(3-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid

Systemtic Name: 4-(3-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid Openeye Name: 4-(3-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid CAS Name: 4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid IUPAC Name: 4-(3-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid Traditional Name: 4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid Formula: C25H20BrClN2O4S MolecularWeight: 559.8593

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)C(=O)O)NC2C5=CC(=CC=C5)Br

Isomeric SMILES

C1C2C(C(C1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)C(=O)O)NC2C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H20BrClN2O4S/c26-15-5-3-4-13(10-15)24-17-12-21(34-20-7-2-1-6-19(20)29(32)33)23(27)22(17)16-11-14(25(30)31)8-9-18(16)28-24/h1-11,17,21-24,28H,12H2,(H,30,31)