2-[[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]amino]methyl]-6-methoxy-4-nitro-phenol

Systemtic Name: 2-[[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]amino]methyl]-6-methoxy-4-nitro-phenol Openeye Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl]-6-methoxy-4-nitro-phenol CAS Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl]-6-methoxy-4-nitrophenol IUPAC Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl]-6-methoxy-4-nitrophenol Traditional Name: 2-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)anilino]methyl]-6-methoxy-4-nitro-phenol Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NCC4=CC(=CC(=C4O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NCC4=CC(=CC(=C4O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5/c1-25(2,3)17-7-10-21-20(12-17)27-24(33-21)15-5-8-18(9-6-15)26-14-16-11-19(28(30)31)13-22(32-4)23(16)29/h5-13,26,29H,14H2,1-4H3