2,4,5-trinitroaniline

Systemtic Name: 2,4,5-trinitroaniline Openeye Name: 2,4,5-trinitroaniline CAS Name: 2,4,5-trinitroaniline IUPAC Name: 2,4,5-trinitroaniline Traditional Name: (2,4,5-trinitrophenyl)amine Formula: C6H4N4O6 MolecularWeight: 228.11916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4N4O6/c7-3-1-5(9(13)14)6(10(15)16)2-4(3)8(11)12/h1-2H,7H2