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Basic information
- Standard SMILES
COC(=O)Nc1ccc(NC(=O)CN(C)C)c([N+](=O)[O-])c1- InChIKey
HDVOCQIQXBIXAM-UHFFFAOYSA-N- Molecular formula
- C12H16N4O5
- Average molar mass
- 296.28 g/mol
Names & identifiers
- Preferred name
- N-(4-methoxycarbonylamino-2-nitrophenyl)-2-dimethylaminoacetamide
- IUPAC
- methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-nitrophenyl]carbamate
Names & synonyms
HDVOCQIQXBIXAM-UHFFFAOYSA-NN-(4-methoxycarbonylamino-2-nitrophenyl)-2-dimethylaminoacetamide
Database identifiers
- PubChem CID
- 21483074
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
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