4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxo-but-2-enoic acid CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: 4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-oxobut-2-enoic acid Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-keto-but-2-enoic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C=CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C=CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c24-18(11-12-19(25)26)21-13-16-14-23(17-9-5-2-6-10-17)22-20(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,21,24)(H,25,26)