N-(4-bromanyl-2-methyl-phenyl)-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(4-bromo-2-methylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C17H17BrN2O6 MolecularWeight: 425.23068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C17H17BrN2O6/c1-9-7-10(18)5-6-12(9)19-17(21)11-8-13(24-2)15(25-3)16(26-4)14(11)20(22)23/h5-8H,1-4H3,(H,19,21)