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

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]pipecolinic 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)N2CCCCC2C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-9(10-5-6-13(23)12(8-10)17(21)22)14(18)16-7-3-2-4-11(16)15(19)20/h5-6,8,11,23H,1-4,7H2,(H,19,20)