1-(4-chloranyl-3-methyl-2-nitro-phenyl)hexan-2-one

Systemtic Name: 1-(4-chloranyl-3-methyl-2-nitro-phenyl)hexan-2-one Openeye Name: 1-(4-chloro-3-methyl-2-nitro-phenyl)hexan-2-one CAS Name: 1-(4-chloro-3-methyl-2-nitrophenyl)-2-hexanone IUPAC Name: 1-(4-chloro-3-methyl-2-nitrophenyl)hexan-2-one Traditional Name: 1-(4-chloro-3-methyl-2-nitro-phenyl)hexan-2-one Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1=C(C(=C(C=C1)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)CC1=C(C(=C(C=C1)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClNO3/c1-3-4-5-11(16)8-10-6-7-12(14)9(2)13(10)15(17)18/h6-7H,3-5,8H2,1-2H3