2',6'-Ditert-butyl-6-nitro-2-(4-nitrophenyl)spiro[2,4-dihydro-1,4-benzoxazine-3,4'-cyclohexa-2,5-diene]-1'-one
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Basic information
- CAS
331945-11-0- Standard SMILES
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1OC2c1ccc([N+](=O)[O-])cc1- InChIKey
DYTPCUSJJXZPEU-UHFFFAOYSA-N- Molecular formula
- C27H29N3O6
- Average molar mass
- 491.5 g/mol
Names & identifiers
- Preferred name
- 2',6'-Ditert-butyl-6-nitro-2-(4-nitrophenyl)spiro[2,4-dihydro-1,4-benzoxazine-3,4'-cyclohexa-2,5-diene]-1'-one
- IUPAC
- 2',6'-ditert-butyl-6-nitro-2-(4-nitrophenyl)spiro[2,4-dihydro-1,4-benzoxazine-3,4'-cyclohexa-2,5-diene]-1'-one
- English name
- 2',6'-ditert-butyl-6-nitro-2-(4-nitrophenyl)-3,4-dihydrospiro(2H-[1,4]benzoxazine-3,4'-[2,5]cyclohexadiene)-1'-one
- Molecular formula
- C27H29N3O6
- Molecular weight
- 491.53566
Names & synonyms
2',6'-ditert-butyl-6-nitro-2-(4-nitrophenyl)-3,4-dihydrospiro(2H-[1,4]benzoxazine-3,4'-[2,5]cyclohexadiene)-1'-oneAKOS000671496AKOS0243046292',6'-ditert-butyl-6-nitro-2-(4-nitrophenyl)spiro[2,4-dihydro-1,4-benzoxazine-3,4'-cyclohexa-2,5-diene]-1'-oneST50236988AG-690/1137805412,16-bis(tert-butyl)-6-nitro-2-(4-nitrophenyl)spiro[2H,4H-benzo[e]1,4-oxazine -3,4'-cyclohexane]a-12,15-dien-11-one
Database identifiers
- CAS
331945-11-0
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 935
Related reactions
0 records
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Compound notes
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