sodium (E)-[1-(5-chloranyl-2-methoxy-phenyl)-3-ethoxy-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[1-(5-chloranyl-2-methoxy-phenyl)-3-ethoxy-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(5-chloro-2-methoxy-phenyl)-3-ethoxy-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(5-chloro-2-methoxyphenyl)-3-ethoxy-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[1-(5-chloro-2-methoxyphenyl)-3-ethoxy-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(5-chloro-2-methoxy-phenyl)-3-ethoxy-5-keto-2-pyrazolin-4-ylidene]methanolate Formula: C13H12ClN2NaO4 MolecularWeight: 318.68815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=C[O-])C2=C(C=CC(=C2)Cl)OC.[Na+]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C/[O-])C2=C(C=CC(=C2)Cl)OC.[Na+]

InChI

InChI=1S/C13H13ClN2O4.Na/c1-3-20-12-9(7-17)13(18)16(15-12)10-6-8(14)4-5-11(10)19-2;/h4-7,17H,3H2,1-2H3;/q;+1/p-1/b9-7+;