(2-methylphenyl)methyl 3-methyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

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