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

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-[(4-nitrophenyl)thio]acrylic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C18H14N2O6S/c1-25-16-10-12(2-7-15(16)26-9-8-19)11-17(18(21)22)27-14-5-3-13(4-6-14)20(23)24/h2-7,10-11H,9H2,1H3,(H,21,22)/b17-11+