sodium (E)-[3-ethoxy-1-[4-[(4-methoxyphenyl)carbonylamino]phenyl]-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-ethoxy-1-[4-[(4-methoxyphenyl)carbonylamino]phenyl]-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-ethoxy-1-[4-[(4-methoxybenzoyl)amino]phenyl]-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-ethoxy-1-[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-ethoxy-1-[4-[(4-methoxybenzoyl)amino]phenyl]-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[3-ethoxy-5-keto-1-[4-(p-anisoylamino)phenyl]-2-pyrazolin-4-ylidene]methanolate Formula: C20H18N3NaO5 MolecularWeight: 403.36379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=C[O-])C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC.[Na+]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C/[O-])C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC.[Na+]

InChI

InChI=1S/C20H19N3O5.Na/c1-3-28-19-17(12-24)20(26)23(22-19)15-8-6-14(7-9-15)21-18(25)13-4-10-16(27-2)11-5-13;/h4-12,24H,3H2,1-2H3,(H,21,25);/q;+1/p-1/b17-12+;