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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-homopiperonyl-3-methoxy-benzamide Formula: C23H19ClN2O7 MolecularWeight: 470.85916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN2O7/c1-30-21-11-15(3-6-20(21)33-18-7-4-16(24)12-17(18)26(28)29)23(27)25-9-8-14-2-5-19-22(10-14)32-13-31-19/h2-7,10-12H,8-9,13H2,1H3,(H,25,27)