N-[4-(2-methylpropoxy)phenyl]-2,4-dinitro-aniline

Systemtic Name: N-[4-(2-methylpropoxy)phenyl]-2,4-dinitro-aniline Openeye Name: N-(4-isobutoxyphenyl)-2,4-dinitro-aniline CAS Name: N-[4-(2-methylpropoxy)phenyl]-2,4-dinitroaniline IUPAC Name: N-[4-(2-methylpropoxy)phenyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(4-isobutoxyphenyl)amine Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-11(2)10-24-14-6-3-12(4-7-14)17-15-8-5-13(18(20)21)9-16(15)19(22)23/h3-9,11,17H,10H2,1-2H3