2,4,6-trinitro-N1,N3,N5-tripyridin-2-yl-benzene-1,3,5-triamine

Systemtic Name: 2,4,6-trinitro-N1,N3,N5-tripyridin-2-yl-benzene-1,3,5-triamine Openeye Name: 2,4,6-trinitro-N1,N3,N5-tris(2-pyridyl)benzene-1,3,5-triamine CAS Name: 2,4,6-trinitro-N1,N3,N5-tris(2-pyridinyl)benzene-1,3,5-triamine IUPAC Name: 2,4,6-trinitro-1-N,3-N,5-N-tripyridin-2-ylbenzene-1,3,5-triamine Traditional Name: 2-pyridyl-[2,4,6-trinitro-3,5-bis(2-pyridylamino)phenyl]amine Formula: C21H15N9O6 MolecularWeight: 489.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=C(C(=C(C(=C2[N+](=O)[O-])NC3=CC=CC=N3)[N+](=O)[O-])NC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC2=C(C(=C(C(=C2[N+](=O)[O-])NC3=CC=CC=N3)[N+](=O)[O-])NC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N9O6/c31-28(32)19-16(25-13-7-1-4-10-22-13)20(29(33)34)18(27-15-9-3-6-12-24-15)21(30(35)36)17(19)26-14-8-2-5-11-23-14/h1-12H,(H,22,25)(H,23,26)(H,24,27)