2-(chloromethyl)-1-(2-methylpropyl)-5-nitro-3-propyl-benzene

Systemtic Name: 2-(chloromethyl)-1-(2-methylpropyl)-5-nitro-3-propyl-benzene Openeye Name: 2-(chloromethyl)-1-isobutyl-5-nitro-3-propyl-benzene CAS Name: 2-(chloromethyl)-1-(2-methylpropyl)-5-nitro-3-propylbenzene IUPAC Name: 2-(chloromethyl)-1-(2-methylpropyl)-5-nitro-3-propylbenzene Traditional Name: 2-(chloromethyl)-1-isobutyl-5-nitro-3-propyl-benzene Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1CCl)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=CC(=C1CCl)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClNO2/c1-4-5-11-7-13(16(17)18)8-12(6-10(2)3)14(11)9-15/h7-8,10H,4-6,9H2,1-3H3