2-[(4E)-1-(4-acetamidophenyl)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate

Systemtic Name: 2-[(4E)-1-(4-acetamidophenyl)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: 2-[(4E)-1-(4-acetamidophenyl)-4-[(2-ethylanilino)methylene]-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-1-(4-acetamidophenyl)-4-[(2-ethylanilino)methylidene]-5-oxo-3-pyrazolyl]acetate IUPAC Name: 2-[(4E)-1-(4-acetamidophenyl)-4-[(2-ethylanilino)methylidene]-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4E)-1-(4-acetamidophenyl)-4-[(2-ethylanilino)methylene]-5-keto-2-pyrazolin-3-yl]acetate Formula: C22H21N4O4- MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)NC(=O)C)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)NC(=O)C)CC(=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-3-15-6-4-5-7-19(15)23-13-18-20(12-21(28)29)25-26(22(18)30)17-10-8-16(9-11-17)24-14(2)27/h4-11,13,23H,3,12H2,1-2H3,(H,24,27)(H,28,29)/p-1/b18-13+