(4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC)OC

InChI

InChI=1S/C20H19NO8/c1-12-6-16(25-2)17(26-3)8-14(12)10-27-20(22)5-4-13-7-18-19(29-11-28-18)9-15(13)21(23)24/h4-9H,10-11H2,1-3H3/b5-4+