(2,6-dimethylphenyl) 2-methyl-3-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 2-methyl-3-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO4/c1-10-6-4-7-11(2)15(10)21-16(18)13-8-5-9-14(12(13)3)17(19)20/h4-9H,1-3H3