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

Systemtic Name: (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H20N2O7/c1-2-26-15-4-6-16(7-5-15)27-10-9-21-20(23)8-3-14-11-18-19(29-13-28-18)12-17(14)22(24)25/h3-8,11-12H,2,9-10,13H2,1H3,(H,21,23)/b8-3+