N,N'-bis(4-methyl-2,6-dinitro-phenyl)propane-1,3-diamine

Systemtic Name: N,N'-bis(4-methyl-2,6-dinitro-phenyl)propane-1,3-diamine Openeye Name: N,N'-bis(4-methyl-2,6-dinitro-phenyl)propane-1,3-diamine CAS Name: N,N'-bis(4-methyl-2,6-dinitrophenyl)propane-1,3-diamine IUPAC Name: N,N'-bis(4-methyl-2,6-dinitrophenyl)propane-1,3-diamine Traditional Name: 3-(4-methyl-2,6-dinitro-anilino)propyl-(4-methyl-2,6-dinitro-phenyl)amine Formula: C17H18N6O8 MolecularWeight: 434.36022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCCNC2=C(C=C(C=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCCNC2=C(C=C(C=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O8/c1-10-6-12(20(24)25)16(13(7-10)21(26)27)18-4-3-5-19-17-14(22(28)29)8-11(2)9-15(17)23(30)31/h6-9,18-19H,3-5H2,1-2H3