dimethyl (E)-2-[2,2-dicyano-1-(3-nitrophenyl)ethenyl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2,2-dicyano-1-(3-nitrophenyl)ethenyl]but-2-enedioate Openeye Name: dimethyl (E)-2-[2,2-dicyano-1-(3-nitrophenyl)vinyl]but-2-enedioate CAS Name: (E)-2-[2,2-dicyano-1-(3-nitrophenyl)ethenyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2,2-dicyano-1-(3-nitrophenyl)ethenyl]but-2-enedioate Traditional Name: (E)-2-[2,2-dicyano-1-(3-nitrophenyl)vinyl]but-2-enedioic acid dimethyl ester Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6/c1-24-14(20)7-13(16(21)25-2)15(11(8-17)9-18)10-4-3-5-12(6-10)19(22)23/h3-7H,1-2H3/b13-7+