3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O6/c1-28(2,3)20-5-8-22(9-6-20)37-24-10-4-18(15-23(24)31(33)34)14-19(17-29)27(32)30-21-7-11-25-26(16-21)36-13-12-35-25/h4-11,14-16H,12-13H2,1-3H3,(H,30,32)