1-(4-methoxy-3-nitro-phenyl)-4-methyl-pentan-3-one

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-4-methyl-pentan-3-one Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-4-methyl-pentan-3-one CAS Name: 1-(4-methoxy-3-nitrophenyl)-4-methyl-3-pentanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-4-methylpentan-3-one Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-4-methyl-pentan-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(2)12(15)6-4-10-5-7-13(18-3)11(8-10)14(16)17/h5,7-9H,4,6H2,1-3H3