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

Systemtic Name: (3-methylphenyl)methyl 2-methyl-3-nitro-benzoate Openeye Name: m-tolylmethyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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