4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H19N3O3/c1-3-14-6-4-5-7-18(14)21-12-17-13(2)22-23(19(17)24)16-10-8-15(9-11-16)20(25)26/h4-12,21H,3H2,1-2H3,(H,25,26)/b17-12+