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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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