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

Systemtic Name: (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-veratryl-acrylamide Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

InChI

InChI=1S/C19H18N2O7/c1-25-15-5-3-12(7-16(15)26-2)10-20-19(22)6-4-13-8-17-18(28-11-27-17)9-14(13)21(23)24/h3-9H,10-11H2,1-2H3,(H,20,22)/b6-4+