Basic information
- Standard SMILES
CC(C)(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
GGSPQZBJSOJITH-UHFFFAOYSA-N- Molecular formula
- C13H17N3O4
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.12190603
Names & identifiers
- Preferred name
- N'-(3,3-dimethylbutanoyl)-4-nitrobenzohydrazide
- IUPAC
- N'-(3,3-dimethylbutanoyl)-4-nitrobenzohydrazide
Names & synonyms
N'-(3,3-dimethylbutanoyl)-4-nitrobenzohydrazideSCHEMBL15376194GGSPQZBJSOJITH-UHFFFAOYSA-NAKOS001416927Z71351568
Database identifiers
- PubChem CID
- 4628581
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
6 records
Compound notes
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