(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: (2S)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(piperonylamino)acetamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-15-7-9-18(19(11-15)26(28)29)25-23(27)22(17-5-3-2-4-6-17)24-13-16-8-10-20-21(12-16)31-14-30-20/h2-12,22,24H,13-14H2,1H3,(H,25,27)/t22-/m0/s1