N',N'-dibutyl-N-(4-methyl-3-nitro-phenyl)propane-1,3-diamine

Systemtic Name: N',N'-dibutyl-N-(4-methyl-3-nitro-phenyl)propane-1,3-diamine Openeye Name: N',N'-dibutyl-N-(4-methyl-3-nitro-phenyl)propane-1,3-diamine CAS Name: N',N'-dibutyl-N-(4-methyl-3-nitrophenyl)propane-1,3-diamine IUPAC Name: N',N'-dibutyl-N-(4-methyl-3-nitrophenyl)propane-1,3-diamine Traditional Name: dibutyl-[3-(4-methyl-3-nitro-anilino)propyl]amine Formula: C18H31N3O2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)CCCNC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C18H31N3O2/c1-4-6-12-20(13-7-5-2)14-8-11-19-17-10-9-16(3)18(15-17)21(22)23/h9-10,15,19H,4-8,11-14H2,1-3H3