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

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-[[(2-propan-2-ylphenyl)amino]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-isopropylanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-propan-2-ylanilino)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-propan-2-ylanilino)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[(2-isopropylanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=CC=C2C(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2C(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O3/c1-13(2)17-6-4-5-7-19(17)22-12-18-14(3)23-24(20(18)25)16-10-8-15(9-11-16)21(26)27/h4-13,22H,1-3H3,(H,26,27)/b18-12+