1-(4-methoxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one CAS Name: 1-(4-methoxy-3-nitrophenyl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-3,3-dimethylbutan-1-one Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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