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

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-[phenyl-(phenylmethyl)amino]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(N-benzylanilino)-N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-(N-(phenylmethyl)anilino)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(N-benzylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(N-benzylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-acetamide Formula: C31H29N3O5 MolecularWeight: 523.57906

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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(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O5/c1-21(2)23-13-15-24(16-14-23)32-31(35)30(26-17-28-29(39-20-38-28)18-27(26)34(36)37)33(25-11-7-4-8-12-25)19-22-9-5-3-6-10-22/h3-18,21,30H,19-20H2,1-2H3,(H,32,35)