2-[(4-pyrazol-1-ylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-pyrazol-1-ylbenzoyl)amino]terephthalic acid CAS Name: 2-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(4-pyrazol-1-ylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-pyrazol-1-ylbenzoyl)amino]terephthalic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

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