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

Systemtic Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]terephthalic acid Formula: C19H14ClN3O5 MolecularWeight: 399.78456

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O5/c20-15-4-2-1-3-12(15)9-23-10-13(8-21-23)17(24)22-16-7-11(18(25)26)5-6-14(16)19(27)28/h1-8,10H,9H2,(H,22,24)(H,25,26)(H,27,28)