1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]nipecotic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-9(10-4-5-13(23)12(7-10)17(21)22)14(18)16-6-2-3-11(8-16)15(19)20/h4-5,7,11,23H,1-3,6,8H2,(H,19,20)