3-methyl-5-nitro-benzoic acid

Systemtic Name: 3-methyl-5-nitro-benzoic acid Openeye Name: 3-methyl-5-nitro-benzoic acid CAS Name: 3-methyl-5-nitrobenzoic acid IUPAC Name: 3-methyl-5-nitrobenzoic acid Traditional Name: 3-methyl-5-nitro-benzoic acid Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)