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

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-[[(2-propoxyphenyl)amino]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-propoxyanilino)methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-propoxyanilino)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-[(2-propoxyanilino)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[(2-propoxyanilino)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC=C1N/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21N3O4/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/h4-11,13,22H,3,12H2,1-2H3,(H,26,27)/b17-13+