lithium 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-1-tert-butyl-pyrazol-2-id-3-one

Systemtic Name: lithium 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-1-tert-butyl-pyrazol-2-id-3-one Openeye Name: lithium 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)pyrazol-2-id-3-one CAS Name: lithium 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-3-pyrazol-2-idone IUPAC Name: lithium 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)pyrazol-2-id-3-one Traditional Name: lithium 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-3-pyrazolin-2-id-3-one Formula: C13H14Cl2LiN3O MolecularWeight: 306.11676

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C)N1C(=C(C(=O)[N-]1)C2=C(C=CC=C2Cl)Cl)N

Isomeric SMILES

[Li+].CC(C)(C)N1C(=C(C(=O)[N-]1)C2=C(C=CC=C2Cl)Cl)N

InChI

InChI=1S/C13H15Cl2N3O.Li/c1-13(2,3)18-11(16)10(12(19)17-18)9-7(14)5-4-6-8(9)15;/h4-6H,1-3H3,(H3,16,17,19);/q;+1/p-1