2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3,5-dimethylisoxazole-4-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3,5-dimethylisoxazole-4-carbonyl)amino]terephthalic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O6/c1-6-11(7(2)22-16-6)12(17)15-10-5-8(13(18)19)3-4-9(10)14(20)21/h3-5H,1-2H3,(H,15,17)(H,18,19)(H,20,21)