sodium 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]benzoate

Systemtic Name: sodium 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]benzoate Openeye Name: sodium 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]benzoate CAS Name: sodium 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]benzoate IUPAC Name: sodium 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]benzoate Traditional Name: sodium 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]benzoate Formula: C19H16N3NaO3 MolecularWeight: 357.33841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C19H17N3O3.Na/c1-13-17(20-12-14-8-6-7-11-16(14)19(24)25)18(23)22(21(13)2)15-9-4-3-5-10-15;/h3-12H,1-2H3,(H,24,25);/q;+1/p-1