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

Systemtic Name: 4-[(4E)-4-[[(2-methoxyphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-methoxyanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(2-methoxyanilino)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(2-methoxyanilino)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(o-anisidinomethylene)-2-pyrazolin-1-yl]benzoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=CC=C2OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4/c1-12-15(11-20-16-5-3-4-6-17(16)26-2)18(23)22(21-12)14-9-7-13(8-10-14)19(24)25/h3-11,20H,1-2H3,(H,24,25)/b15-11+