N-(4-bromanyl-2,6-dimethyl-phenyl)-3,4-dinitro-benzamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-3,4-dinitro-benzamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-3,4-dinitro-benzamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-3,4-dinitrobenzamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-3,4-dinitrobenzamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-3,4-dinitro-benzamide Formula: C15H12BrN3O5 MolecularWeight: 394.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)Br

InChI

InChI=1S/C15H12BrN3O5/c1-8-5-11(16)6-9(2)14(8)17-15(20)10-3-4-12(18(21)22)13(7-10)19(23)24/h3-7H,1-2H3,(H,17,20)