3,5-dimethyl-4-nitro-benzoic acid

Systemtic Name: 3,5-dimethyl-4-nitro-benzoic acid Openeye Name: 3,5-dimethyl-4-nitro-benzoic acid CAS Name: 3,5-dimethyl-4-nitrobenzoic acid IUPAC Name: 3,5-dimethyl-4-nitrobenzoic acid Traditional Name: 3,5-dimethyl-4-nitro-benzoic acid Formula: C9H9NO4 MolecularWeight: 195.17206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)