N-butyl-4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)aniline

Systemtic Name: N-butyl-4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)aniline Openeye Name: N-butyl-4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)aniline CAS Name: N-butyl-4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)aniline IUPAC Name: N-butyl-4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)aniline Traditional Name: butyl-[4-nitro-2-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]amine Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-2-3-13-24-20-11-10-18(26(27)28)15-19(20)23-25-21-14-17(9-12-22(21)29-23)16-7-5-4-6-8-16/h4-12,14-15,24H,2-3,13H2,1H3