methyl 2,5-dimethyl-3-nitro-4-oxidanyl-benzoate

Systemtic Name: methyl 2,5-dimethyl-3-nitro-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-2,5-dimethyl-3-nitro-benzoate CAS Name: 4-hydroxy-2,5-dimethyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-2,5-dimethyl-3-nitrobenzoate Traditional Name: 4-hydroxy-2,5-dimethyl-3-nitro-benzoic acid methyl ester Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OC)C)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OC)C)[N+](=O)[O-])O

InChI

InChI=1S/C10H11NO5/c1-5-4-7(10(13)16-3)6(2)8(9(5)12)11(14)15/h4,12H,1-3H3