sodium (E)-[3-methyl-5-oxidanylidene-1-[4-(propanoylamino)phenyl]pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-methyl-5-oxidanylidene-1-[4-(propanoylamino)phenyl]pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-methyl-5-oxo-1-[4-(propanoylamino)phenyl]pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methyl-5-oxo-1-[4-(1-oxopropylamino)phenyl]-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-methyl-5-oxo-1-[4-(propanoylamino)phenyl]pyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[5-keto-3-methyl-1-(4-propionamidophenyl)-2-pyrazolin-4-ylidene]methanolate Formula: C14H14N3NaO3 MolecularWeight: 295.26903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)C.[Na+]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)C.[Na+]

InChI

InChI=1S/C14H15N3O3.Na/c1-3-13(19)15-10-4-6-11(7-5-10)17-14(20)12(8-18)9(2)16-17;/h4-8,18H,3H2,1-2H3,(H,15,19);/q;+1/p-1/b12-8+;