2-[(3-nitropyridin-2-yl)sulfanylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-nitropyridin-2-yl)sulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(3-nitro-2-pyridyl)sulfanyl]propanoic acid CAS Name: 2-[[(3-nitro-2-pyridinyl)thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(3-nitropyridin-2-yl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(3-nitro-2-pyridyl)thio]propionic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2=C(C=CC=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2=C(C=CC=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N2O4S/c18-15(19)12(9-11-5-2-1-3-6-11)10-22-14-13(17(20)21)7-4-8-16-14/h1-8,12H,9-10H2,(H,18,19)