N'-[4-(1-chloroethyl)-2-nitro-phenyl]propane-1,3-diamine

Systemtic Name: N'-[4-(1-chloroethyl)-2-nitro-phenyl]propane-1,3-diamine Openeye Name: N'-[4-(1-chloroethyl)-2-nitro-phenyl]propane-1,3-diamine CAS Name: N'-[4-(1-chloroethyl)-2-nitrophenyl]propane-1,3-diamine IUPAC Name: N'-[4-(1-chloroethyl)-2-nitrophenyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[4-(1-chloroethyl)-2-nitro-phenyl]amine Formula: C11H16ClN3O2 MolecularWeight: 257.71664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16ClN3O2/c1-8(12)9-3-4-10(14-6-2-5-13)11(7-9)15(16)17/h3-4,7-8,14H,2,5-6,13H2,1H3