(E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-propan-2-yloxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isopropoxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C21H19N3O6/c1-13(2)30-16-5-3-14(4-6-16)9-15(12-22)21(25)23-17-10-19-20(29-8-7-28-19)11-18(17)24(26)27/h3-6,9-11,13H,7-8H2,1-2H3,(H,23,25)/b15-9+