4-(5-azanyl-3-phenyl-pyrazol-1-yl)benzoate

Systemtic Name: 4-(5-azanyl-3-phenyl-pyrazol-1-yl)benzoate Openeye Name: 4-(5-amino-3-phenyl-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-3-phenyl-1-pyrazolyl)benzoate IUPAC Name: 4-(5-amino-3-phenylpyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-3-phenyl-pyrazol-1-yl)benzoate Formula: C16H12N3O2- MolecularWeight: 278.28538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)C(=O)[O-]

InChI

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