4-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-4-keto-butyrate Formula: C17H18Cl2N3O3- MolecularWeight: 383.24912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O3/c1-17(2,3)13-9-14(20-15(23)6-7-16(24)25)22(21-13)10-4-5-11(18)12(19)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,20,23)(H,24,25)/p-1