(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(4-phenylbutyl)acrylamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCCCC3=CC=CC=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCCCCC3=CC=CC=C3)OCO1

InChI

InChI=1S/C21H22N2O5/c24-20(22-11-5-4-8-16-6-2-1-3-7-16)10-9-17-12-19(23(25)26)13-18-14-27-15-28-21(17)18/h1-3,6-7,9-10,12-13H,4-5,8,11,14-15H2,(H,22,24)/b10-9+