5-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(3-azanyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(3-amino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(3-amino-5-keto-2-pyrazolin-1-yl)-2-phenoxy-besylate Formula: C15H12N3O5S- MolecularWeight: 346.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])N

Isomeric SMILES

C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])N

InChI

InChI=1S/C15H13N3O5S/c16-14-9-15(19)18(17-14)10-6-7-12(13(8-10)24(20,21)22)23-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,17)(H,20,21,22)/p-1