N-[(2-chloranyl-5-nitro-phenyl)methyl]-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[(2-chloro-5-nitro-benzyl)amino]propyl-dimethyl-amine Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)CCCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H18ClN3O2/c1-15(2)7-3-6-14-9-10-8-11(16(17)18)4-5-12(10)13/h4-5,8,14H,3,6-7,9H2,1-2H3