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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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