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

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-9(11-2-3-13(23)12(8-11)17(21)22)14(18)16-6-4-10(5-7-16)15(19)20/h2-3,8,10,23H,1,4-7H2,(H,19,20)