2-[(2-ethylpyrazol-3-yl)amino]terephthalic acid

Systemtic Name: 2-[(2-ethylpyrazol-3-yl)amino]terephthalic acid Openeye Name: 2-[(2-ethylpyrazol-3-yl)amino]terephthalic acid CAS Name: 2-[(2-ethyl-3-pyrazolyl)amino]terephthalic acid IUPAC Name: 2-[(2-ethylpyrazol-3-yl)amino]terephthalic acid Traditional Name: 2-[(2-ethylpyrazol-3-yl)amino]terephthalic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-2-16-11(5-6-14-16)15-10-7-8(12(17)18)3-4-9(10)13(19)20/h3-7,15H,2H2,1H3,(H,17,18)(H,19,20)