N-[(5S)-3,5-ditert-butyl-5,6,6-tris(chloranyl)-4-oxidanylidene-cyclohex-2-en-1-ylidene]-4-nitro-benzamide

Systemtic Name: N-[(5S)-3,5-ditert-butyl-5,6,6-tris(chloranyl)-4-oxidanylidene-cyclohex-2-en-1-ylidene]-4-nitro-benzamide Openeye Name: N-[(5S)-3,5-ditert-butyl-5,6,6-trichloro-4-oxo-cyclohex-2-en-1-ylidene]-4-nitro-benzamide CAS Name: N-[(5S)-3,5-ditert-butyl-5,6,6-trichloro-4-oxo-1-cyclohex-2-enylidene]-4-nitrobenzamide IUPAC Name: N-[(5S)-3,5-ditert-butyl-5,6,6-trichloro-4-oxocyclohex-2-en-1-ylidene]-4-nitrobenzamide Traditional Name: N-[(5S)-3,5-ditert-butyl-5,6,6-trichloro-4-keto-cyclohex-2-en-1-ylidene]-4-nitro-benzamide Formula: C21H23Cl3N2O4 MolecularWeight: 473.77732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C(C1=O)(C(C)(C)C)Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C([C@@](C1=O)(C(C)(C)C)Cl)(Cl)Cl

InChI

InChI=1S/C21H23Cl3N2O4/c1-18(2,3)14-11-15(21(23,24)20(22,16(14)27)19(4,5)6)25-17(28)12-7-9-13(10-8-12)26(29)30/h7-11H,1-6H3/t20-/m1/s1