N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide Formula: C21H14BrN3O4 MolecularWeight: 452.25756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-12-9-13(5-7-18(12)25(27)28)20(26)23-16-6-8-19-17(11-16)24-21(29-19)14-3-2-4-15(22)10-14/h2-11H,1H3,(H,23,26)