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

Systemtic Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C18H13N3O6 MolecularWeight: 367.31232

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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=C(C=C3)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c19-10-12(7-11-1-3-13(22)4-2-11)18(23)20-14-8-16-17(27-6-5-26-16)9-15(14)21(24)25/h1-4,7-9,22H,5-6H2,(H,20,23)/b12-7+