N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitro-benzamide Openeye Name: N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitro-benzamide CAS Name: N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitrobenzamide IUPAC Name: N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitrobenzamide Traditional Name: N-[[2-(1,3-benzodioxol-5-yl)-1,3-dioxolan-2-yl]methyl]-2-nitro-benzamide Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(O1)(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O7/c21-17(13-3-1-2-4-14(13)20(22)23)19-10-18(26-7-8-27-18)12-5-6-15-16(9-12)25-11-24-15/h1-6,9H,7-8,10-11H2,(H,19,21)