2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2,4,6-trimethylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2,4,6-trimethylphenyl)prop-2-enamide CAS Name: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2,4,6-trimethylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2,4,6-trimethylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-mesityl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)C

InChI

InChI=1S/C20H17N3O5/c1-11-4-12(2)19(13(3)5-11)22-20(24)15(9-21)6-14-7-17-18(28-10-27-17)8-16(14)23(25)26/h4-8H,10H2,1-3H3,(H,22,24)