5-nitro-2,4-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-one

Systemtic Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-one Openeye Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-one CAS Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-one Traditional Name: 5-nitro-2,4-dipicryl-1,2,4-triazol-3-one Formula: C14H4N10O15 MolecularWeight: 553.232969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=O)[15N](C(=N2)[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H4N10O15/c25-14-16(11-7(20(30)31)1-5(18(26)27)2-8(11)21(32)33)13(24(38)39)15-17(14)12-9(22(34)35)3-6(19(28)29)4-10(12)23(36)37/h1-4H/i16+1