3,6-bis(4-methoxy-3,5-dinitro-phenyl)-2H-1,2,3,4-tetrazine

Systemtic Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-2H-1,2,3,4-tetrazine Openeye Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-2H-tetrazine CAS Name: 3,6-bis(4-methoxy-3,5-dinitrophenyl)-2H-tetrazine IUPAC Name: 3,6-bis(4-methoxy-3,5-dinitrophenyl)-2H-tetrazine Traditional Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-2H-tetrazine Formula: C16H12N8O10 MolecularWeight: 476.31408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])C2=NNN(N=C2)C3=CC(=C(C(=C3)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])C2=NNN(N=C2)C3=CC(=C(C(=C3)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N8O10/c1-33-15-11(21(25)26)3-8(4-12(15)22(27)28)10-7-17-20(19-18-10)9-5-13(23(29)30)16(34-2)14(6-9)24(31)32/h3-7,19H,1-2H3