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

Systemtic Name: 2-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-3-yl]butanoate Openeye Name: 2-[(4E)-4-[(2-ethylanilino)methylene]-1-(4-nitrophenyl)-5-oxo-pyrazol-3-yl]butanoate CAS Name: 2-[(4E)-4-[(2-ethylanilino)methylidene]-1-(4-nitrophenyl)-5-oxo-3-pyrazolyl]butanoate IUPAC Name: 2-[(4E)-4-[(2-ethylanilino)methylidene]-1-(4-nitrophenyl)-5-oxopyrazol-3-yl]butanoate Traditional Name: 2-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]butyrate Formula: C22H21N4O5- MolecularWeight: 421.42594

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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-])C(CC)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-3-14-7-5-6-8-19(14)23-13-18-20(17(4-2)22(28)29)24-25(21(18)27)15-9-11-16(12-10-15)26(30)31/h5-13,17,23H,3-4H2,1-2H3,(H,28,29)/p-1/b18-13+