methyl 5-(2-methylheptan-2-yl)-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(2-methylheptan-2-yl)-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 5-(1,1-dimethylhexyl)-2-hydroxy-3-nitro-benzoate CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(2-methylheptan-2-yl)-3-nitrobenzoate Traditional Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-nitro-benzoic acid methyl ester Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-5-6-7-8-16(2,3)11-9-12(15(19)22-4)14(18)13(10-11)17(20)21/h9-10,18H,5-8H2,1-4H3