sodium (E)-[1-(4-ethylphenyl)-3-morpholin-4-yl-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[1-(4-ethylphenyl)-3-morpholin-4-yl-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(4-ethylphenyl)-3-morpholino-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-ethylphenyl)-3-(4-morpholinyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-ethylphenyl)-3-morpholin-4-yl-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(4-ethylphenyl)-5-keto-3-morpholino-2-pyrazolin-4-ylidene]methanolate Formula: C16H18N3NaO3 MolecularWeight: 323.32219

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=N2)N3CCOCC3.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=N2)N3CCOCC3.[Na+]

InChI

InChI=1S/C16H19N3O3.Na/c1-2-12-3-5-13(6-4-12)19-16(21)14(11-20)15(17-19)18-7-9-22-10-8-18;/h3-6,11,20H,2,7-10H2,1H3;/q;+1/p-1/b14-11+;