N,1-bis(2,4,6-trinitrophenyl)-1,2,3-triazol-4-amine

Systemtic Name: N,1-bis(2,4,6-trinitrophenyl)-1,2,3-triazol-4-amine Openeye Name: N,1-bis(2,4,6-trinitrophenyl)triazol-4-amine CAS Name: N,1-bis(2,4,6-trinitrophenyl)-4-triazolamine IUPAC Name: N,1-bis(2,4,6-trinitrophenyl)triazol-4-amine Traditional Name: picryl-(1-picryltriazol-4-yl)amine Formula: C14H6N10O12 MolecularWeight: 506.25724

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=CN(N=N2)C3=C(C=C(C=C3[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-])NC2=CN(N=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H6N10O12/c25-19(26)6-1-8(21(29)30)13(9(2-6)22(31)32)15-12-5-18(17-16-12)14-10(23(33)34)3-7(20(27)28)4-11(14)24(35)36/h1-5,15H