3,3-dimethyl-1-(4-methyl-2-nitro-phenoxy)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-methyl-2-nitro-phenoxy)butan-2-one Openeye Name: 3,3-dimethyl-1-(4-methyl-2-nitro-phenoxy)butan-2-one CAS Name: 3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-methyl-2-nitrophenoxy)butan-2-one Traditional Name: 3,3-dimethyl-1-(4-methyl-2-nitro-phenoxy)butan-2-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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