Basic information
- CAS
328011-26-3- Standard SMILES
COC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
NMGFQMDTGKOJGE-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.05897142
Names & identifiers
- Preferred name
- Methyl 3-(4-nitroanilino)-3-oxopropanoate
- IUPAC
- methyl 3-(4-nitroanilino)-3-oxopropanoate
Names & synonyms
328011-26-3Methyl 3-(4-nitroanilino)-3-oxopropanoateDTXSID40635936RefChem:354702DTXCID50586687METHYL 2-[(4-NITROPHENYL)CARBAMOYL]ACETATEOprea1_499340SCHEMBL5343120DNA01126EN300-314504G34432METHYL2-[(4-NITROPHENYL)CARBAMOYL]ACETATE
Database identifiers
- CAS
328011-26-3- PubChem CID
- 23908692
- DTXSID
DTXSID40635936
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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