1-(4-methoxy-3-nitro-phenyl)hexan-3-one

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)hexan-3-one Openeye Name: 1-(4-methoxy-3-nitro-phenyl)hexan-3-one CAS Name: 1-(4-methoxy-3-nitrophenyl)-3-hexanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)hexan-3-one Traditional Name: 1-(4-methoxy-3-nitro-phenyl)hexan-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-4-11(15)7-5-10-6-8-13(18-2)12(9-10)14(16)17/h6,8-9H,3-5,7H2,1-2H3