3-nitro-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 3-nitro-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 3-nitro-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 3-nitro-N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide IUPAC Name: 3-nitro-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 3-nitro-N-(7-propionyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-2-15(21)13-9-16-17(26-7-6-25-16)10-14(13)19-18(22)11-4-3-5-12(8-11)20(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,22)