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

Systemtic Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13(2)17-5-3-14(10-18(17)24(26)27)9-15(12-22)21(25)23-16-4-6-19-20(11-16)29-8-7-28-19/h3-6,9-11,13H,7-8H2,1-2H3,(H,23,25)/b15-9+