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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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