(E)-N-(4-butan-2-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-butan-2-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-sec-butylphenyl)prop-2-enamide CAS Name: (E)-N-(4-butan-2-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4-butan-2-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-sec-butylphenyl)acrylamide Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-3-13(2)14-4-7-16(8-5-14)21-20(23)9-6-15-10-18-19(27-12-26-18)11-17(15)22(24)25/h4-11,13H,3,12H2,1-2H3,(H,21,23)/b9-6+