5-(4-bromophenyl)carbonyl-N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2O1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(C=C(C=C2O1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Br

InChI

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