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

Systemtic Name: N,2-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine Openeye Name: N,2-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine CAS Name: N,2-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine IUPAC Name: N,2-bis(2,4,6-trinitrophenyl)-1,2,4-triazol-3-amine Traditional Name: picryl-(2-picryl-1,2,4-triazol-3-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=NC=NN2C3=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=NC=NN2C3=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)12(9(2-6)22(31)32)17-14-15-5-16-18(14)13-10(23(33)34)3-7(20(27)28)4-11(13)24(35)36/h1-5H,(H,15,16,17)