methyl 4-[2-(5-nitro-2-oxidanyl-phenyl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(5-nitro-2-oxidanyl-phenyl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-hydroxy-5-nitro-phenyl)ethyl]benzoate CAS Name: 4-[2-(2-hydroxy-5-nitrophenyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-hydroxy-5-nitrophenyl)ethyl]benzoate Traditional Name: 4-[2-(2-hydroxy-5-nitro-phenyl)ethyl]benzoic acid methyl ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15NO5/c1-22-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17(20)21)8-9-15(13)18/h2-3,5-6,8-10,18H,4,7H2,1H3