4-(5-chloranyl-2-nitro-phenyl)sulfanylpiperidine-1-carboxylic acid

Systemtic Name: 4-(5-chloranyl-2-nitro-phenyl)sulfanylpiperidine-1-carboxylic acid Openeye Name: 4-(5-chloro-2-nitro-phenyl)sulfanylpiperidine-1-carboxylic acid CAS Name: 4-[(5-chloro-2-nitrophenyl)thio]-1-piperidinecarboxylic acid IUPAC Name: 4-(5-chloro-2-nitrophenyl)sulfanylpiperidine-1-carboxylic acid Traditional Name: 4-[(5-chloro-2-nitro-phenyl)thio]piperidine-1-carboxylic acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCC1SC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13ClN2O4S/c13-8-1-2-10(15(18)19)11(7-8)20-9-3-5-14(6-4-9)12(16)17/h1-2,7,9H,3-6H2,(H,16,17)