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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)acrylamide Formula: C18H12BrN3O6 MolecularWeight: 446.20838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H12BrN3O6/c1-26-15-3-2-12(22(24)25)6-14(15)21-18(23)11(8-20)4-10-5-16-17(7-13(10)19)28-9-27-16/h2-7H,9H2,1H3,(H,21,23)/b11-4+