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

Systemtic Name: 2-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: 2-[(4E)-4-[(2-ethylanilino)methylene]-1-(4-nitrophenyl)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-[(2-ethylanilino)methylidene]-1-(4-nitrophenyl)-5-oxo-3-pyrazolyl]acetate IUPAC Name: 2-[(4E)-4-[(2-ethylanilino)methylidene]-1-(4-nitrophenyl)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]acetate Formula: C20H17N4O5- MolecularWeight: 393.37278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-2-13-5-3-4-6-17(13)21-12-16-18(11-19(25)26)22-23(20(16)27)14-7-9-15(10-8-14)24(28)29/h3-10,12,21H,2,11H2,1H3,(H,25,26)/p-1/b16-12+