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

Systemtic Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-[phenyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-(N-benzylanilino)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(N-(phenylmethyl)anilino)acetamide IUPAC Name: 2-(N-benzylanilino)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(N-benzylanilino)-N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C29H25N3O6 MolecularWeight: 511.5253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H25N3O6/c1-36-23-14-12-21(13-15-23)30-29(33)28(24-16-26-27(38-19-37-26)17-25(24)32(34)35)31(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-17,28H,18-19H2,1H3,(H,30,33)