2,6-ditert-butyl-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(oxidanylamino)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(oxidanylamino)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)-(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-(hydroxyamino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)-(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)-(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one Formula: C20H28ClN3O2 MolecularWeight: 377.90822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO)Cl)C

InChI

InChI=1S/C20H28ClN3O2/c1-11-15(18(21)24(8)22-11)16(23-26)12-9-13(19(2,3)4)17(25)14(10-12)20(5,6)7/h9-10,23,26H,1-8H3