3-methyl-4-[(1-phenylpyrazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-phenylpyrazol-4-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(1-phenylpyrazole-4-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-phenylpyrazole-4-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(1-phenylpyrazole-4-carbonyl)amino]benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-12-9-13(18(23)24)7-8-16(12)20-17(22)14-10-19-21(11-14)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22)(H,23,24)