4-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-ethoxycarbonyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-ethoxycarbonyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-dimethylaminophenyl)methylene]-3-ethoxycarbonyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-ethoxycarbonyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-ethoxycarbonyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-3-carbethoxy-4-[4-(dimethylamino)benzylidene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-4-30-22(29)19-18(13-14-5-9-16(10-6-14)24(2)3)20(26)25(23-19)17-11-7-15(8-12-17)21(27)28/h5-13H,4H2,1-3H3,(H,27,28)/b18-13+