2-[[[2-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[2-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[2-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[2-tert-butyl-5-(4-chlorophenyl)-3-pyrazolyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[2-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[2-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]amino]methylene]malonic acid Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C17H18ClN3O4/c1-17(2,3)21-14(19-9-12(15(22)23)16(24)25)8-13(20-21)10-4-6-11(18)7-5-10/h4-9,19H,1-3H3,(H,22,23)(H,24,25)