(E)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-chloro-4-fluoro-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-chloro-4-fluoro-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H9ClFN3O5 MolecularWeight: 389.721863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H9ClFN3O5/c18-12-5-11(1-2-13(12)19)21-17(23)10(7-20)3-9-4-15-16(27-8-26-15)6-14(9)22(24)25/h1-6H,8H2,(H,21,23)/b10-3+