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

Systemtic Name: 4-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]amino]-4-keto-butyrate Formula: C17H19ClN3O3- MolecularWeight: 348.80406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-17(2,3)13-10-14(19-15(22)7-8-16(23)24)21(20-13)12-6-4-5-11(18)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,19,22)(H,23,24)/p-1