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

Systemtic Name: (E)-N-(4-bromophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NC3=CC=C(C=C3)Br)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NC3=CC=C(C=C3)Br)OCO1

InChI

InChI=1S/C17H13BrN2O5/c18-13-2-4-14(5-3-13)19-16(21)6-1-11-7-15(20(22)23)8-12-9-24-10-25-17(11)12/h1-8H,9-10H2,(H,19,21)/b6-1+