N-[5-(4-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(4-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitro-benzamide Openeye Name: N-[5-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitro-benzamide CAS Name: N-[5-[(4-bromophenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitrobenzamide IUPAC Name: N-[5-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitrobenzamide Traditional Name: N-[5-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-nitro-benzamide Formula: C22H15BrN2O6 MolecularWeight: 483.2683

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2C(=O)C3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2C(=O)C3=CC=C(C=C3)Br)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN2O6/c23-15-5-1-13(2-6-15)20(26)18-11-16(12-19-21(18)31-10-9-30-19)24-22(27)14-3-7-17(8-4-14)25(28)29/h1-8,11-12H,9-10H2,(H,24,27)