(E)-3-[2-(cyanomethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-[2-(cyanomethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-[2-(cyanomethoxy)phenyl]-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-[2-(cyanomethoxy)phenyl]-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-[2-(cyanomethoxy)phenyl]-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-[2-(cyanomethoxy)phenyl]-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C17H12N2O5S/c18-9-10-24-15-4-2-1-3-12(15)11-16(17(20)21)25-14-7-5-13(6-8-14)19(22)23/h1-8,11H,10H2,(H,20,21)/b16-11+