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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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