sodium 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: sodium 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: sodium 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate CAS Name: sodium 4-[[(E)-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylideneamino]oxymethyl]benzoate IUPAC Name: sodium 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate Traditional Name: sodium 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate Formula: C20H18N3NaO4 MolecularWeight: 387.36439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)[O-])OC3=CC=CC=C3)C.[Na+]

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)[O-])OC3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C20H19N3O4.Na/c1-14-18(19(23(2)22-14)27-17-6-4-3-5-7-17)12-21-26-13-15-8-10-16(11-9-15)20(24)25;/h3-12H,13H2,1-2H3,(H,24,25);/q;+1/p-1/b21-12+;