4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-nitro-benzamide CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[methyl(piperonyl)amino]methyl]-3-nitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-19(8-11-2-5-15-16(6-11)25-10-24-15)9-13-4-3-12(17(18)21)7-14(13)20(22)23/h2-7H,8-10H2,1H3,(H2,18,21)