(3,4-dimethylphenyl) 2-methyl-3-nitro-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-methyl-3-nitro-benzoate Openeye Name: (3,4-dimethylphenyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (3,4-dimethylphenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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