4-(5-azanyl-4-phenyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(5-azanyl-4-phenyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-(5-amino-4-phenyl-pyrazol-1-yl)benzoic acid CAS Name: 4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-(5-amino-4-phenylpyrazol-1-yl)benzoic acid Traditional Name: 4-(5-amino-4-phenyl-pyrazol-1-yl)benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2/c17-15-14(11-4-2-1-3-5-11)10-18-19(15)13-8-6-12(7-9-13)16(20)21/h1-10H,17H2,(H,20,21)