4-[[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]methyl]benzoic acid Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O3/c20-17-10-22-23(12-17)11-14-3-5-15(6-4-14)18(24)21-9-13-1-7-16(8-2-13)19(25)26/h1-8,10,12H,9,11H2,(H,21,24)(H,25,26)