[3-(4-chloranyl-3-nitro-phenoxy)-3-oxidanylidene-propyl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [3-(4-chloranyl-3-nitro-phenoxy)-3-oxidanylidene-propyl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [3-(4-chloro-3-nitro-phenoxy)-3-oxo-propyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [3-(4-chloro-3-nitrophenoxy)-3-oxopropyl] ester IUPAC Name: [3-(4-chloro-3-nitrophenoxy)-3-oxopropyl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [3-(4-chloro-3-nitro-phenoxy)-3-keto-propyl] ester Formula: C24H28ClNO7 MolecularWeight: 477.93462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H28ClNO7/c1-23(2,3)16-11-14(12-17(21(16)28)24(4,5)6)22(29)32-10-9-20(27)33-15-7-8-18(25)19(13-15)26(30)31/h7-8,11-13,28H,9-10H2,1-6H3