(E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-tert-butylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-21(2,3)16-5-7-17(8-6-16)22-19(24)9-4-14-10-18(23(25)26)11-15-12-27-13-28-20(14)15/h4-11H,12-13H2,1-3H3,(H,22,24)/b9-4+