methyl 4-methyl-3-nitro-5-oxidanyl-benzoate

Systemtic Name: methyl 4-methyl-3-nitro-5-oxidanyl-benzoate Openeye Name: methyl 3-hydroxy-4-methyl-5-nitro-benzoate CAS Name: 3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-methyl-5-nitrobenzoate Traditional Name: 3-hydroxy-4-methyl-5-nitro-benzoic acid methyl ester Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO5/c1-5-7(10(13)14)3-6(4-8(5)11)9(12)15-2/h3-4,11H,1-2H3