2-[4-[nitro(phenyl)methoxy]carbonylpiperidin-1-yl]ethanethioic S-acid

Systemtic Name: 2-[4-[nitro(phenyl)methoxy]carbonylpiperidin-1-yl]ethanethioic S-acid Openeye Name: 2-[4-[nitro(phenyl)methoxy]carbonyl-1-piperidyl]ethanethioic S-acid CAS Name: 2-[4-[[nitro(phenyl)methoxy]-oxomethyl]-1-piperidinyl]ethanethioic S-acid IUPAC Name: 2-[4-[nitro(phenyl)methoxy]carbonylpiperidin-1-yl]ethanethioic S-acid Traditional Name: 2-[4-[nitro(phenyl)methoxy]carbonylpiperidino]thioacetic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C15H18N2O5S/c18-13(23)10-16-8-6-12(7-9-16)15(19)22-14(17(20)21)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,18,23)