1-(2-methyl-6-nitro-phenyl)hexan-2-one

Systemtic Name: 1-(2-methyl-6-nitro-phenyl)hexan-2-one Openeye Name: 1-(2-methyl-6-nitro-phenyl)hexan-2-one CAS Name: 1-(2-methyl-6-nitrophenyl)-2-hexanone IUPAC Name: 1-(2-methyl-6-nitrophenyl)hexan-2-one Traditional Name: 1-(2-methyl-6-nitro-phenyl)hexan-2-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-4-7-11(15)9-12-10(2)6-5-8-13(12)14(16)17/h5-6,8H,3-4,7,9H2,1-2H3