(3,5-dimethylphenyl)methyl 2-nitrobenzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-nitrobenzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3,5-dimethylbenzyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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