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

Systemtic Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(3,5-dimethyl-4-isoxazolyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]terephthalic acid Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6/c1-7-11(8(2)23-17-7)6-13(18)16-12-5-9(14(19)20)3-4-10(12)15(21)22/h3-5H,6H2,1-2H3,(H,16,18)(H,19,20)(H,21,22)