sodium (3Z)-3-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: sodium (3Z)-3-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: sodium (3Z)-3-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: sodium (3Z)-3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: sodium (3Z)-3-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: sodium (3Z)-6-keto-3-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]cyclohexa-1,4-diene-1-carboxylate Formula: C19H16N3NaO4 MolecularWeight: 373.33781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=CC(=O)C(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C\3/C=CC(=O)C(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H17N3O4.Na/c1-12-17(18(24)22(21(12)2)14-6-4-3-5-7-14)20-11-13-8-9-16(23)15(10-13)19(25)26;/h3-11,20H,1-2H3,(H,25,26);/q;+1/p-1/b13-11-;