N4-(2,4,6-trinitrophenyl)benzene-1,4-diamine

Systemtic Name: N4-(2,4,6-trinitrophenyl)benzene-1,4-diamine Openeye Name: N4-(2,4,6-trinitrophenyl)benzene-1,4-diamine CAS Name: N4-(2,4,6-trinitrophenyl)benzene-1,4-diamine IUPAC Name: 4-N-(2,4,6-trinitrophenyl)benzene-1,4-diamine Traditional Name: (4-aminophenyl)-picryl-amine Formula: C12H9N5O6 MolecularWeight: 319.22976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H,13H2