butyl 2-methyl-3-nitro-6-oxidanyl-benzoate

Systemtic Name: butyl 2-methyl-3-nitro-6-oxidanyl-benzoate Openeye Name: butyl 6-hydroxy-2-methyl-3-nitro-benzoate CAS Name: 6-hydroxy-2-methyl-3-nitrobenzoic acid butyl ester IUPAC Name: butyl 6-hydroxy-2-methyl-3-nitrobenzoate Traditional Name: 6-hydroxy-2-methyl-3-nitro-benzoic acid butyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1C)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1C)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO5/c1-3-4-7-18-12(15)11-8(2)9(13(16)17)5-6-10(11)14/h5-6,14H,3-4,7H2,1-2H3