N3-(4-methyl-2,6-dinitro-phenyl)benzene-1,3-diamine

Systemtic Name: N3-(4-methyl-2,6-dinitro-phenyl)benzene-1,3-diamine Openeye Name: N3-(4-methyl-2,6-dinitro-phenyl)benzene-1,3-diamine CAS Name: N3-(4-methyl-2,6-dinitrophenyl)benzene-1,3-diamine IUPAC Name: 3-N-(4-methyl-2,6-dinitrophenyl)benzene-1,3-diamine Traditional Name: (3-aminophenyl)-(4-methyl-2,6-dinitro-phenyl)amine Formula: C13H12N4O4 MolecularWeight: 288.25878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC(=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC(=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c1-8-5-11(16(18)19)13(12(6-8)17(20)21)15-10-4-2-3-9(14)7-10/h2-7,15H,14H2,1H3