N4-(2-chloroethyl)-N1-methyl-2-nitro-benzene-1,4-diamine

Systemtic Name: N4-(2-chloroethyl)-N1-methyl-2-nitro-benzene-1,4-diamine Openeye Name: N4-(2-chloroethyl)-N1-methyl-2-nitro-benzene-1,4-diamine CAS Name: N4-(2-chloroethyl)-N1-methyl-2-nitrobenzene-1,4-diamine IUPAC Name: 4-N-(2-chloroethyl)-1-N-methyl-2-nitrobenzene-1,4-diamine Traditional Name: 2-chloroethyl-[4-(methylamino)-3-nitro-phenyl]amine Formula: C9H12ClN3O2 MolecularWeight: 229.66348

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)NCCCl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)NCCCl)[N+](=O)[O-]

InChI

InChI=1S/C9H12ClN3O2/c1-11-8-3-2-7(12-5-4-10)6-9(8)13(14)15/h2-3,6,11-12H,4-5H2,1H3