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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 2-bromanyl-3-nitro-benzoate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 2-bromo-3-nitro-benzoate CAS Name: 2-bromo-3-nitrobenzoic 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] 2-bromo-3-nitrobenzoate Traditional Name: 2-bromo-3-nitro-benzoic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O5/c1-20(2,3)14-10-12(11-15(18(14)25)21(4,5)6)23-29-19(26)13-8-7-9-16(17(13)22)24(27)28/h7-11H,1-6H3