sodium 6-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoate

Systemtic Name: sodium 6-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoate Openeye Name: sodium 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2,3-dimethoxy-benzoate CAS Name: sodium 6-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2,3-dimethoxybenzoate IUPAC Name: sodium 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoate Traditional Name: sodium 6-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2,3-dimethoxy-benzoate Formula: C21H20N3NaO5 MolecularWeight: 417.39037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H21N3O5.Na/c1-13-18(20(25)24(23(13)2)15-8-6-5-7-9-15)22-12-14-10-11-16(28-3)19(29-4)17(14)21(26)27;/h5-12H,1-4H3,(H,26,27);/q;+1/p-1