3-(hydroxymethyl)-2-methyl-5-nitro-benzoate

Systemtic Name: 3-(hydroxymethyl)-2-methyl-5-nitro-benzoate Openeye Name: 3-(hydroxymethyl)-2-methyl-5-nitro-benzoate CAS Name: 3-(hydroxymethyl)-2-methyl-5-nitrobenzoate IUPAC Name: 3-(hydroxymethyl)-2-methyl-5-nitrobenzoate Traditional Name: 2-methyl-3-methylol-5-nitro-benzoate Formula: C9H8NO5- MolecularWeight: 210.16352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5/c1-5-6(4-11)2-7(10(14)15)3-8(5)9(12)13/h2-3,11H,4H2,1H3,(H,12,13)/p-1