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

Systemtic Name: sodium (E)-[1-[4-(decanoylamino)phenyl]-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-[4-(decanoylamino)phenyl]-3-methyl-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-methyl-5-oxo-1-[4-(1-oxodecylamino)phenyl]-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-[4-(decanoylamino)phenyl]-3-methyl-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-[4-(caprylamino)phenyl]-5-keto-3-methyl-2-pyrazolin-4-ylidene]methanolate Formula: C21H28N3NaO3 MolecularWeight: 393.45509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3.Na/c1-3-4-5-6-7-8-9-10-20(26)22-17-11-13-18(14-12-17)24-21(27)19(15-25)16(2)23-24;/h11-15,25H,3-10H2,1-2H3,(H,22,26);/q;+1/p-1/b19-15+;