[(5S)-5-(4-chlorophenyl)-5-methyl-6-nitro-hexyl] ethanoate

Systemtic Name: [(5S)-5-(4-chlorophenyl)-5-methyl-6-nitro-hexyl] ethanoate Openeye Name: [(5S)-5-(4-chlorophenyl)-5-methyl-6-nitro-hexyl] acetate CAS Name: acetic acid [(5S)-5-(4-chlorophenyl)-5-methyl-6-nitrohexyl] ester IUPAC Name: [(5S)-5-(4-chlorophenyl)-5-methyl-6-nitrohexyl] acetate Traditional Name: acetic acid [(5S)-5-(4-chlorophenyl)-5-methyl-6-nitro-hexyl] ester Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC(C)(C[N+](=O)[O-])C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=O)OCCCC[C@](C)(C[N+](=O)[O-])C1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H20ClNO4/c1-12(18)21-10-4-3-9-15(2,11-17(19)20)13-5-7-14(16)8-6-13/h5-8H,3-4,9-11H2,1-2H3/t15-/m1/s1