2,4,6-trinitro-N1,N3-dipyridin-4-yl-benzene-1,3-diamine

Systemtic Name: 2,4,6-trinitro-N1,N3-dipyridin-4-yl-benzene-1,3-diamine Openeye Name: 2,4,6-trinitro-N1,N3-bis(4-pyridyl)benzene-1,3-diamine CAS Name: 2,4,6-trinitro-N1,N3-dipyridin-4-ylbenzene-1,3-diamine IUPAC Name: 2,4,6-trinitro-1-N,3-N-dipyridin-4-ylbenzene-1,3-diamine Traditional Name: 4-pyridyl-[2,4,6-trinitro-3-(4-pyridylamino)phenyl]amine Formula: C16H11N7O6 MolecularWeight: 397.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N7O6/c24-21(25)12-9-13(22(26)27)15(20-11-3-7-18-8-4-11)16(23(28)29)14(12)19-10-1-5-17-6-2-10/h1-9H,(H,17,19)(H,18,20)