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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC(C)C)[N+](=O)[O-])CCl

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC(C)C)[N+](=O)[O-])CCl

InChI

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