(3,5-dimethylphenyl)methyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 5-nitro-2-oxidanyl-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid (3,5-dimethylbenzyl) ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-10-5-11(2)7-12(6-10)9-22-16(19)14-8-13(17(20)21)3-4-15(14)18/h3-8,18H,9H2,1-2H3