2-bromanyl-6-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]methyl]-4-nitro-phenol

Systemtic Name: 2-bromanyl-6-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]methyl]-4-nitro-phenol Openeye Name: 2-bromo-6-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]methyl]-4-nitro-phenol CAS Name: 2-bromo-6-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]methyl]-4-nitrophenol IUPAC Name: 2-bromo-6-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]methyl]-4-nitrophenol Traditional Name: 2-bromo-6-[[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]amino]methyl]-4-nitro-phenol Formula: C21H15BrClN3O4 MolecularWeight: 488.7185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)NCC4=CC(=CC(=C4O)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)NCC4=CC(=CC(=C4O)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H15BrClN3O4/c22-17-10-16(26(28)29)8-13(21(17)27)11-24-15-5-6-19-18(9-15)25-20(30-19)7-12-1-3-14(23)4-2-12/h1-6,8-10,24,27H,7,11H2