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

Systemtic Name: (E)-N-(4-fluoranyl-3-nitro-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-fluoro-3-nitro-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-fluoro-3-nitrophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-fluoro-3-nitrophenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-fluoro-3-nitro-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C17H12FN3O7 MolecularWeight: 389.291483

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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)F)[N+](=O)[O-])OCO1

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O7/c18-14-3-2-12(7-15(14)21(25)26)19-16(22)4-1-10-5-13(20(23)24)6-11-8-27-9-28-17(10)11/h1-7H,8-9H2,(H,19,22)/b4-1+