(E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(dimethylamino)-1-phenylethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(dimethylamino)-1-phenylethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(dimethylamino)-1-phenyl-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-23(2)12-19(15-6-4-3-5-7-15)22-20(25)9-8-16-10-18(24(26)27)11-17-13-28-14-29-21(16)17/h3-11,19H,12-14H2,1-2H3,(H,22,25)/b9-8+