(E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide Openeye Name: (E)-N-[(4-allyloxyphenyl)methyl]-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-prop-2-enoxyphenyl)methyl]-2-propenamide IUPAC Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-N-(4-allyloxybenzyl)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H20N2O6/c1-3-10-27-17-7-4-15(5-8-17)13-22(2)21(24)9-6-16-11-19-20(29-14-28-19)12-18(16)23(25)26/h3-9,11-12H,1,10,13-14H2,2H3/b9-6+