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

Systemtic Name: (E)-[1-(4-ethylphenyl)-3-morpholin-4-yl-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: (E)-[1-(4-ethylphenyl)-3-morpholino-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: (E)-[1-(4-ethylphenyl)-3-(4-morpholinyl)-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: (E)-[1-(4-ethylphenyl)-3-morpholin-4-yl-5-oxopyrazol-4-ylidene]methanolate Traditional Name: (E)-[1-(4-ethylphenyl)-5-keto-3-morpholino-2-pyrazolin-4-ylidene]methanolate Formula: C16H18N3O3- MolecularWeight: 300.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/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/p-1/b14-11+