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

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-[[(2-prop-2-enoxyphenyl)amino]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-allyloxyanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-prop-2-enoxyanilino)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-prop-2-enoxyanilino)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[(2-allyloxyanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=CC=C2OCC=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2OCC=C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c1-3-12-28-19-7-5-4-6-18(19)22-13-17-14(2)23-24(20(17)25)16-10-8-15(9-11-16)21(26)27/h3-11,13,22H,1,12H2,2H3,(H,26,27)/b17-13+