2-sulfanylethyl (2E)-2-nitro-2-piperidin-2-ylidene-ethanoate

Systemtic Name: 2-sulfanylethyl (2E)-2-nitro-2-piperidin-2-ylidene-ethanoate Openeye Name: 2-sulfanylethyl (2E)-2-nitro-2-(2-piperidylidene)acetate CAS Name: (2E)-2-nitro-2-(2-piperidinylidene)acetic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl (2E)-2-nitro-2-piperidin-2-ylideneacetate Traditional Name: (2E)-2-nitro-2-(2-piperidylidene)acetic acid 2-mercaptoethyl ester Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C(=O)OCCS)[N+](=O)[O-])C1

Isomeric SMILES

C1CCN/C(=C(\C(=O)OCCS)/[N+](=O)[O-])/C1

InChI

InChI=1S/C9H14N2O4S/c12-9(15-5-6-16)8(11(13)14)7-3-1-2-4-10-7/h10,16H,1-6H2/b8-7+