(E)-N-(5-methylhexan-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-methylhexan-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(1,4-dimethylpentyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(5-methylhexan-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(5-methylhexan-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(1,4-dimethylpentyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(C)NC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-12(2)4-5-13(3)19-17(21)7-6-14-8-16(20(22)23)9-15-10-24-11-25-18(14)15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)/b7-6+