N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-homopiperonyl-4-(methylamino)-3-nitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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