[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromanylbenzoate

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromanylbenzoate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NOC(=O)C2=CC=C(C=C2)Br)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NOC(=O)C2=CC=C(C=C2)Br)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H24BrNO3/c1-20(2,3)16-11-15(12-17(18(16)24)21(4,5)6)23-26-19(25)13-7-9-14(22)10-8-13/h7-12H,1-6H3