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

Systemtic Name: 3-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(2-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2CC)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2CC)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H23N3O3/c1-3-8-20-18(14-23-19-12-6-5-9-15(19)4-2)21(26)25(24-20)17-11-7-10-16(13-17)22(27)28/h5-7,9-14,23H,3-4,8H2,1-2H3,(H,27,28)/b18-14+