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

Systemtic Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(dimethylamino)-1-phenylethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(dimethylamino)-1-phenylethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-22(2)12-16(14-6-4-3-5-7-14)21-20(24)9-8-15-10-18-19(28-13-27-18)11-17(15)23(25)26/h3-11,16H,12-13H2,1-2H3,(H,21,24)/b9-8+