(E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(5-tert-butyl-2-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(5-tert-butyl-2-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H22N2O6/c1-21(2,3)14-6-7-17(27-4)15(10-14)22-20(24)8-5-13-9-18-19(29-12-28-18)11-16(13)23(25)26/h5-11H,12H2,1-4H3,(H,22,24)/b8-5+