3-(3-azanyl-2,4,6-trinitro-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: 3-(3-azanyl-2,4,6-trinitro-phenyl)-2,4,6-trinitro-aniline Openeye Name: 3-(3-amino-2,4,6-trinitro-phenyl)-2,4,6-trinitro-aniline CAS Name: 3-(3-amino-2,4,6-trinitrophenyl)-2,4,6-trinitroaniline IUPAC Name: 3-(3-amino-2,4,6-trinitrophenyl)-2,4,6-trinitroaniline Traditional Name: [3-(3-amino-2,4,6-trinitro-phenyl)-2,4,6-trinitro-phenyl]amine Formula: C12H6N8O12 MolecularWeight: 454.22244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6N8O12/c13-9-5(17(25)26)1-3(15(21)22)7(11(9)19(29)30)8-4(16(23)24)2-6(18(27)28)10(14)12(8)20(31)32/h1-2H,13-14H2