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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-N-(4-chloranyl-3-nitro-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitro-phenyl)-2-cyano-acrylamide Formula: C17H9BrClN3O5 MolecularWeight: 450.62746

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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)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H9BrClN3O5/c18-12-6-16-15(26-8-27-16)4-9(12)3-10(7-20)17(23)21-11-1-2-13(19)14(5-11)22(24)25/h1-6H,8H2,(H,21,23)/b10-3+