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

Systemtic Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-1,2,4,5-tetrazine Openeye Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-1,2,4,5-tetrazine CAS Name: 3,6-bis(4-methoxy-3,5-dinitrophenyl)-1,2,4,5-tetrazine IUPAC Name: 3,6-bis(4-methoxy-3,5-dinitrophenyl)-1,2,4,5-tetrazine Traditional Name: 3,6-bis(4-methoxy-3,5-dinitro-phenyl)-1,2,4,5-tetrazine Formula: C16H10N8O10 MolecularWeight: 474.2982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])C2=NN=C(N=N2)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=NN=C(N=N2)C3=CC(=C(C(=C3)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N8O10/c1-33-13-9(21(25)26)3-7(4-10(13)22(27)28)15-17-19-16(20-18-15)8-5-11(23(29)30)14(34-2)12(6-8)24(31)32/h3-6H,1-2H3