N-(4-bromanyl-2,5-dimethoxy-phenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-bromanyl-2,5-dimethoxy-phenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-bromo-2,5-dimethoxy-phenyl)-3,5-dinitro-benzamide CAS Name: N-(4-bromo-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-bromo-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-bromo-2,5-dimethoxy-phenyl)-3,5-dinitro-benzamide Formula: C15H12BrN3O7 MolecularWeight: 426.17568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC)Br

InChI

InChI=1S/C15H12BrN3O7/c1-25-13-7-12(14(26-2)6-11(13)16)17-15(20)8-3-9(18(21)22)5-10(4-8)19(23)24/h3-7H,1-2H3,(H,17,20)