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

Systemtic Name: [1-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylamino] 4-bromanylbenzoate Openeye Name: [1-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylamino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino] ester IUPAC Name: [1-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [1-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylamino] ester Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)NOC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)NOC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C23H28BrNO3/c1-14(25-28-21(27)15-8-10-17(24)11-9-15)16-12-18(22(2,3)4)20(26)19(13-16)23(5,6)7/h8-13,25H,1-7H3