6-[(2-chloranyl-4-nitro-phenoxy)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(2-chloranyl-4-nitro-phenoxy)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-chloro-4-nitro-phenoxy)methyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(2-chloro-4-nitrophenoxy)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(2-chloro-4-nitrophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(2-chloro-4-nitro-phenoxy)methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN6O3/c1-10-4-2-3-5-13(10)20-17-22-15(21-16(19)23-17)9-27-14-7-6-11(24(25)26)8-12(14)18/h2-8H,9H2,1H3,(H3,19,20,21,22,23)