4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methylphenyl)-3-nitro-benzamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(m-tolyl)-3-nitro-benzamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methylphenyl)-3-nitrobenzamide Traditional Name: N-(m-tolyl)-3-nitro-4-(piperonylamino)benzamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-14-3-2-4-17(9-14)24-22(26)16-6-7-18(19(11-16)25(27)28)23-12-15-5-8-20-21(10-15)30-13-29-20/h2-11,23H,12-13H2,1H3,(H,24,26)