4-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(3-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-(3-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-keto-butyrate Formula: C19H15ClN3O3- MolecularWeight: 368.7937

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3/c20-14-7-4-8-15(11-14)23-17(21-18(24)9-10-19(25)26)12-16(22-23)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,21,24)(H,25,26)/p-1