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

Systemtic Name: 2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-ethyl-5-methyl-isoxazole-4-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-ethyl-5-methyl-isoxazole-4-carbonyl)amino]terephthalic acid Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C15H14N2O6/c1-3-10-12(7(2)23-17-10)13(18)16-11-6-8(14(19)20)4-5-9(11)15(21)22/h4-6H,3H2,1-2H3,(H,16,18)(H,19,20)(H,21,22)