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

Systemtic Name: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-benzamide Openeye Name: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-benzamide CAS Name: 3-nitro-N-[7-(1-oxobutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide IUPAC Name: N-(7-butanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide Traditional Name: N-(7-butyryl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-benzamide Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-2-4-16(22)14-10-17-18(27-8-7-26-17)11-15(14)20-19(23)12-5-3-6-13(9-12)21(24)25/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,20,23)