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

Systemtic Name: (E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)O

InChI

InChI=1S/C20H17N3O7/c1-2-28-17-8-12(3-4-16(17)24)7-13(11-21)20(25)22-14-9-18-19(30-6-5-29-18)10-15(14)23(26)27/h3-4,7-10,24H,2,5-6H2,1H3,(H,22,25)/b13-7+