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

Systemtic Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-keto-butyric acid Formula: C19H15Cl2N3O3 MolecularWeight: 404.2467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O3/c20-14-7-6-13(10-15(14)21)24-17(22-18(25)8-9-19(26)27)11-16(23-24)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,22,25)(H,26,27)