methyl 2-methyl-3-nitro-5-oxidanyl-benzoate

Systemtic Name: methyl 2-methyl-3-nitro-5-oxidanyl-benzoate Openeye Name: methyl 5-hydroxy-2-methyl-3-nitro-benzoate CAS Name: 5-hydroxy-2-methyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-3-nitrobenzoate Traditional Name: 5-hydroxy-2-methyl-3-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=C1C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC)O)[N+](=O)[O-]

InChI

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