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

Systemtic Name: N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitro-benzamide Openeye Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitro-benzamide CAS Name: N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide IUPAC Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OCCO3

InChI

InChI=1S/C23H18N2O6/c1-14-5-7-15(8-6-14)22(26)18-12-20-21(31-10-9-30-20)13-19(18)24-23(27)16-3-2-4-17(11-16)25(28)29/h2-8,11-13H,9-10H2,1H3,(H,24,27)