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

Systemtic Name: 2-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[(1-benzylpyrazole-4-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(1-benzylpyrazole-4-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-benzylpyrazole-4-carbonyl)amino]terephthalic acid Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15N3O5/c23-17(14-9-20-22(11-14)10-12-4-2-1-3-5-12)21-16-8-13(18(24)25)6-7-15(16)19(26)27/h1-9,11H,10H2,(H,21,23)(H,24,25)(H,26,27)