2-(6-nitro-1,3-benzodioxol-5-yl)-2-[phenyl(prop-2-enyl)amino]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-[phenyl(prop-2-enyl)amino]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(N-allylanilino)-N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)-2-(N-prop-2-enylanilino)acetamide IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)-2-(N-prop-2-enylanilino)acetamide Traditional Name: 2-(N-allylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-acetamide Formula: C27H27N3O5 MolecularWeight: 473.52038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N(CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N(CC=C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-4-14-29(21-8-6-5-7-9-21)26(27(31)28-20-12-10-19(11-13-20)18(2)3)22-15-24-25(35-17-34-24)16-23(22)30(32)33/h4-13,15-16,18,26H,1,14,17H2,2-3H3,(H,28,31)