1-butan-2-yl-2-(chloromethyl)-5-nitro-3-propan-2-yl-benzene

Systemtic Name: 1-butan-2-yl-2-(chloromethyl)-5-nitro-3-propan-2-yl-benzene Openeye Name: 2-(chloromethyl)-1-isopropyl-5-nitro-3-sec-butyl-benzene CAS Name: 1-butan-2-yl-2-(chloromethyl)-5-nitro-3-propan-2-ylbenzene IUPAC Name: 1-butan-2-yl-2-(chloromethyl)-5-nitro-3-propan-2-ylbenzene Traditional Name: 2-(chloromethyl)-1-isopropyl-5-nitro-3-sec-butyl-benzene Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO2/c1-5-10(4)13-7-11(16(17)18)6-12(9(2)3)14(13)8-15/h6-7,9-10H,5,8H2,1-4H3