(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C(=C2C)C(=O)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C(=C2C)C(=O)C)C)C

InChI

InChI=1S/C20H21NO5/c1-11-7-6-8-17(21(24)25)19(11)20(23)26-10-16-12(2)9-13(3)18(14(16)4)15(5)22/h6-9H,10H2,1-5H3