(3,5-dimethylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (3,5-dimethylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (3,5-dimethylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3,5-dimethylphenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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