2-[1-(4-chlorophenyl)-2-nitro-ethyl]cyclopentan-1-one; methylbenzene

Systemtic Name: 2-[1-(4-chlorophenyl)-2-nitro-ethyl]cyclopentan-1-one; methylbenzene Openeye Name: 2-[1-(4-chlorophenyl)-2-nitro-ethyl]cyclopentanone; toluene CAS Name: 2-[1-(4-chlorophenyl)-2-nitroethyl]-1-cyclopentanone; toluene IUPAC Name: 2-[1-(4-chlorophenyl)-2-nitroethyl]cyclopentan-1-one; toluene Traditional Name: 2-[1-(4-chlorophenyl)-2-nitro-ethyl]cyclopentanone; toluene Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1CC(C(=O)C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1.C1CC(C(=O)C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClNO3.C7H8/c14-10-6-4-9(5-7-10)12(8-15(17)18)11-2-1-3-13(11)16;1-7-5-3-2-4-6-7/h4-7,11-12H,1-3,8H2;2-6H,1H3