2-[(1-phenylpyrazol-4-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1-phenylpyrazol-4-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-phenylpyrazole-4-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(1-phenylpyrazole-4-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-phenylpyrazole-4-carbonyl)amino]terephthalic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O5/c22-16(12-9-19-21(10-12)13-4-2-1-3-5-13)20-15-8-11(17(23)24)6-7-14(15)18(25)26/h1-10H,(H,20,22)(H,23,24)(H,25,26)