(3-methylphenyl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: m-tolylmethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (3-methylbenzyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-11-5-3-7-13(9-11)10-21-16(18)14-8-4-6-12(2)15(14)17(19)20/h3-9H,10H2,1-2H3