N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methyl-4-nitro-benzamide Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6/c1-9-5-11(3-4-14(9)19(22)23)17(21)18-13-7-16-15(24-8-25-16)6-12(13)10(2)20/h3-7H,8H2,1-2H3,(H,18,21)