(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)acrylic acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H10N2O6/c1-19-10-4-7(3-8(6-13)12(15)16)9(14(17)18)5-11(10)20-2/h3-5H,1-2H3,(H,15,16)/b8-3+