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

Systemtic Name: 5-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-5-oxopentanoate Traditional Name: 5-[[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]amino]-5-keto-valerate Formula: C18H20Cl2N3O3- MolecularWeight: 397.2757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O3/c1-18(2,3)14-10-15(21-16(24)5-4-6-17(25)26)23(22-14)11-7-8-12(19)13(20)9-11/h7-10H,4-6H2,1-3H3,(H,21,24)(H,25,26)/p-1