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

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)hexan-3-one Openeye Name: 1-(2-methyl-3-nitro-phenyl)hexan-3-one CAS Name: 1-(2-methyl-3-nitrophenyl)-3-hexanone IUPAC Name: 1-(2-methyl-3-nitrophenyl)hexan-3-one Traditional Name: 1-(2-methyl-3-nitro-phenyl)hexan-3-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CCC1=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)CCC1=C(C(=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO3/c1-3-5-12(15)9-8-11-6-4-7-13(10(11)2)14(16)17/h4,6-7H,3,5,8-9H2,1-2H3