2-bromanyl-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Formula: C22H16BrN3O4 MolecularWeight: 466.28414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN3O4/c1-12-8-19-20(9-13(12)2)30-22(25-19)14-4-3-5-15(10-14)24-21(27)17-11-16(26(28)29)6-7-18(17)23/h3-11H,1-2H3,(H,24,27)