Basic information
- CAS
49755-98-8- Standard SMILES
CNC(=O)CNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1- InChIKey
UIOBXDKWRKEHET-UHFFFAOYSA-N- Molecular formula
- C11H11N3O6
- Average molar mass
- 281.22 g/mol
- Monoisotopic mass
- 281.06478507
Names & identifiers
- Preferred name
- 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid
- IUPAC
- 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid
- English name
- 3-[[[2-(methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid
- Molecular formula
- C11H11N3O6
- Molecular weight
- 281.22154
Names & synonyms
49755-98-8EINECS 256-473-03-(((2-(Methylamino)-2-oxoethyl)amino)carbonyl)-5-nitrobenzoic acidDTXSID101980283-[[[2-(METHYLAMINO)-2-OXOETHYL]AMINO]CARBONYL]-5-NITROBENZOIC ACIDRefChem:91948DTXCID40120519256-473-0SCHEMBL11692409NS00031958N-(3-carboxy-5-nitrobenzoyl)-glycine Methylamide3-{[2-(Methylamino)-2-oxoethyl]carbamoyl}-5-nitrobenzoic acid
Database identifiers
- CAS
49755-98-8- PubChem CID
- 3016495
- DTXSID
DTXSID10198028- EC Number
- 256-473-0
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
Loading…