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

Systemtic Name: N2-(2-methylphenyl)-6-[(4-nitro-2-prop-2-enyl-phenoxy)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-allyl-4-nitro-phenoxy)methyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(4-nitro-2-prop-2-enylphenoxy)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-[(2-allyl-4-nitro-phenoxy)methyl]-6-amino-s-triazin-2-yl]-(o-tolyl)amine Formula: C20H20N6O3 MolecularWeight: 392.4112

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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c1-3-6-14-11-15(26(27)28)9-10-17(14)29-12-18-23-19(21)25-20(24-18)22-16-8-5-4-7-13(16)2/h3-5,7-11H,1,6,12H2,2H3,(H3,21,22,23,24,25)