N-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3,5-dinitro-benzamide CAS Name: N-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3,5-dinitrobenzamide IUPAC Name: N-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3,5-dinitro-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-20(2,3)16-9-13(10-17(18(16)25)21(4,5)6)22-19(26)12-7-14(23(27)28)11-15(8-12)24(29)30/h7-11H,1-6H3