(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C19H14BrN3O7 MolecularWeight: 476.23436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br)O

InChI

InChI=1S/C19H14BrN3O7/c1-28-17-6-10(5-12(20)18(17)24)4-11(9-21)19(25)22-13-7-15-16(30-3-2-29-15)8-14(13)23(26)27/h4-8,24H,2-3H2,1H3,(H,22,25)/b11-4+