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

Systemtic Name: 2-(chloromethyl)-1-ethyl-5-nitro-3-propan-2-yl-benzene Openeye Name: 2-(chloromethyl)-1-ethyl-3-isopropyl-5-nitro-benzene CAS Name: 2-(chloromethyl)-1-ethyl-5-nitro-3-propan-2-ylbenzene IUPAC Name: 2-(chloromethyl)-1-ethyl-5-nitro-3-propan-2-ylbenzene Traditional Name: 2-(chloromethyl)-1-ethyl-3-isopropyl-5-nitro-benzene Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CCl)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC(=C1CCl)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClNO2/c1-4-9-5-10(14(15)16)6-11(8(2)3)12(9)7-13/h5-6,8H,4,7H2,1-3H3