5-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-(3,4-dichlorophenyl)-5-phenyl-3-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-5-keto-valeric acid Formula: C20H17Cl2N3O3 MolecularWeight: 418.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCCC(=O)O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCCC(=O)O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O3/c21-15-10-9-14(11-16(15)22)25-18(23-19(26)7-4-8-20(27)28)12-17(24-25)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,23,26)(H,27,28)