methyl 5-methyl-5-(3-nitro-4-oxidanyl-phenyl)hexanoate

Systemtic Name: methyl 5-methyl-5-(3-nitro-4-oxidanyl-phenyl)hexanoate Openeye Name: methyl 5-(4-hydroxy-3-nitro-phenyl)-5-methyl-hexanoate CAS Name: 5-(4-hydroxy-3-nitrophenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(4-hydroxy-3-nitrophenyl)-5-methylhexanoate Traditional Name: 5-(4-hydroxy-3-nitro-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO5/c1-14(2,8-4-5-13(17)20-3)10-6-7-12(16)11(9-10)15(18)19/h6-7,9,16H,4-5,8H2,1-3H3