(E)-N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)C

InChI

InChI=1S/C22H19N3O7/c1-22(2)21(27)20(14-7-12(10-23)3-5-16(14)32-22)24-19(26)6-4-13-8-17-18(31-11-30-17)9-15(13)25(28)29/h3-9,20-21,27H,11H2,1-2H3,(H,24,26)/b6-4+