2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoic acid Openeye Name: 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-4-[oxo(1-piperidinyl)methyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-nitro-4-(piperidine-1-carbonyl)phenyl]thio]acetic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c17-13(18)9-22-12-5-4-10(8-11(12)16(20)21)14(19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,17,18)