(E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C18H12BrN3O5 MolecularWeight: 430.20898

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CC=CC=C3Br)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC=CC=C3Br)/C#N

InChI

InChI=1S/C18H12BrN3O5/c19-13-4-2-1-3-11(13)7-12(10-20)18(23)21-14-8-16-17(27-6-5-26-16)9-15(14)22(24)25/h1-4,7-9H,5-6H2,(H,21,23)/b12-7+