methyl 4-[3-(3-nitro-2-oxidanyl-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(3-nitro-2-oxidanyl-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(2-hydroxy-3-nitro-phenyl)propyl]benzoate CAS Name: 4-[3-(2-hydroxy-3-nitrophenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-hydroxy-3-nitrophenyl)propyl]benzoate Traditional Name: 4-[3-(2-hydroxy-3-nitro-phenyl)propyl]benzoic acid methyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17NO5/c1-23-17(20)14-10-8-12(9-11-14)4-2-5-13-6-3-7-15(16(13)19)18(21)22/h3,6-11,19H,2,4-5H2,1H3