Basic information
- CAS
415912-55-9- Standard SMILES
COC(=O)Cc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1OC- InChIKey
CBTBRGPWPMDSCW-UHFFFAOYSA-N- Molecular formula
- C17H19N3O5
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.13247072
Names & identifiers
- Preferred name
- Methyl 4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methoxybenzeneacetate
- IUPAC
- methyl 2-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methoxyphenyl]acetate
Names & synonyms
DTXSID301144501Methyl 4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methoxybenzeneacetateMethyl {4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]-2-methoxyphenyl}acetate415912-55-9
Database identifiers
- CAS
415912-55-9- PubChem CID
- 91152154
- DTXSID
DTXSID301144501
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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