4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylic acid

Systemtic Name: 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylic acid Openeye Name: 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylic acid CAS Name: 4-[(4-nitrophenyl)thio]-1-piperidinecarboxylic acid IUPAC Name: 4-(4-nitrophenyl)sulfanylpiperidine-1-carboxylic acid Traditional Name: 4-[(4-nitrophenyl)thio]piperidine-1-carboxylic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c15-12(16)13-7-5-11(6-8-13)19-10-3-1-9(2-4-10)14(17)18/h1-4,11H,5-8H2,(H,15,16)