3-acetamido-4-methanoyl-2,6-dimethyl-benzoic acid

Systemtic Name: 3-acetamido-4-methanoyl-2,6-dimethyl-benzoic acid Openeye Name: 3-acetamido-4-formyl-2,6-dimethyl-benzoic acid CAS Name: 3-acetamido-4-formyl-2,6-dimethylbenzoic acid IUPAC Name: 3-acetamido-4-formyl-2,6-dimethylbenzoic acid Traditional Name: 3-acetamido-4-formyl-2,6-dimethyl-benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C=O)NC(=O)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C=O)NC(=O)C)C)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-6-4-9(5-14)11(13-8(3)15)7(2)10(6)12(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)