N1-(2-nitro-2-propyl-hexyl)-N4-phenyl-benzene-1,4-diamine

Systemtic Name: N1-(2-nitro-2-propyl-hexyl)-N4-phenyl-benzene-1,4-diamine Openeye Name: N1-(2-nitro-2-propyl-hexyl)-N4-phenyl-benzene-1,4-diamine CAS Name: N1-(2-nitro-2-propylhexyl)-N4-phenylbenzene-1,4-diamine IUPAC Name: 1-N-(2-nitro-2-propylhexyl)-4-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-(2-nitro-2-propyl-hexyl)amine Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)(CNC1=CC=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)(CNC1=CC=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O2/c1-3-5-16-21(15-4-2,24(25)26)17-22-18-11-13-20(14-12-18)23-19-9-7-6-8-10-19/h6-14,22-23H,3-5,15-17H2,1-2H3