N-(7-ethanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(7-ethanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitro-benzamide Openeye Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitro-benzamide CAS Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide IUPAC Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide Traditional Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitro-benzamide Formula: C17H13N3O8 MolecularWeight: 387.30042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OCCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OCCO2

InChI

InChI=1S/C17H13N3O8/c1-9(21)13-7-15-16(28-3-2-27-15)8-14(13)18-17(22)10-4-11(19(23)24)6-12(5-10)20(25)26/h4-8H,2-3H2,1H3,(H,18,22)