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

Systemtic Name: (E)-N-[2-(4-methylphenoxy)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylphenoxy)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-methylphenoxy)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylphenoxy)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-methylphenoxy)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C23H18N2O6/c1-15-6-9-17(10-7-15)31-20-5-3-2-4-18(20)24-23(26)11-8-16-12-21-22(30-14-29-21)13-19(16)25(27)28/h2-13H,14H2,1H3,(H,24,26)/b11-8+