2-methyl-1-(2,4,6-trimethyl-3-nitro-phenyl)propan-1-one

Systemtic Name: 2-methyl-1-(2,4,6-trimethyl-3-nitro-phenyl)propan-1-one Openeye Name: 2-methyl-1-(2,4,6-trimethyl-3-nitro-phenyl)propan-1-one CAS Name: 2-methyl-1-(2,4,6-trimethyl-3-nitrophenyl)-1-propanone IUPAC Name: 2-methyl-1-(2,4,6-trimethyl-3-nitrophenyl)propan-1-one Traditional Name: 2-methyl-1-(2,4,6-trimethyl-3-nitro-phenyl)propan-1-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C(C)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C(C)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO3/c1-7(2)13(15)11-8(3)6-9(4)12(10(11)5)14(16)17/h6-7H,1-5H3