Basic information
- Standard SMILES
O=C(O)COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
KJJJFRJPVQAFRB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O7
- Average molar mass
- 284.22 g/mol
Names & identifiers
- Preferred name
- 4-(2-Carboxymethoxy-ethylamino)-3-nitro-benzoic acid
- IUPAC
- 4-[2-(carboxymethoxy)ethylamino]-3-nitrobenzoic acid
Names & synonyms
SCHEMBL581227KJJJFRJPVQAFRB-UHFFFAOYSA-N4-(2-carboxymethoxy-ethylamino)-3-nitro-benzoic acid
Database identifiers
- PubChem CID
- 66731908
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
8 records
Linked notes
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