2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-4,5-dihydro-3H-1,2,4-triazine

Systemtic Name: 2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-4,5-dihydro-3H-1,2,4-triazine Openeye Name: 6-nitro-3,5-bis(3-nitrophenyl)-2-(p-tolyl)-4,5-dihydro-3H-1,2,4-triazine CAS Name: 2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-4,5-dihydro-3H-1,2,4-triazine IUPAC Name: 2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-4,5-dihydro-3H-1,2,4-triazine Traditional Name: 6-nitro-3,5-bis(3-nitrophenyl)-2-(p-tolyl)-4,5-dihydro-3H-1,2,4-triazine Formula: C22H18N6O6 MolecularWeight: 462.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(C(=N2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(C(=N2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O6/c1-14-8-10-17(11-9-14)25-21(16-5-3-7-19(13-16)27(31)32)23-20(22(24-25)28(33)34)15-4-2-6-18(12-15)26(29)30/h2-13,20-21,23H,1H3