3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzoic acid Openeye Name: 3-nitro-4-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-benzoic acid CAS Name: 3-nitro-4-[[2-oxo-2-(1-piperidinyl)ethyl]thio]benzoic acid IUPAC Name: 3-nitro-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-keto-2-piperidino-ethyl)thio]-3-nitro-benzoic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c17-13(15-6-2-1-3-7-15)9-22-12-5-4-10(14(18)19)8-11(12)16(20)21/h4-5,8H,1-3,6-7,9H2,(H,18,19)