methyl 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxylate

Systemtic Name: methyl 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxylate Openeye Name: methyl 4-hydroxy-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: 4-hydroxy-1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 4-hydroxy-1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]nipecotic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CN(CCC1O)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-9(10-3-4-14(25)12(7-10)18(22)23)15(20)17-6-5-13(19)11(8-17)16(21)24-2/h3-4,7,11,13,19,25H,1,5-6,8H2,2H3