Basic information
- CAS
150374-96-2- Standard SMILES
O=C(CNC(=O)c1ccccc1[N+](=O)[O-])OCc1ccccc1- InChIKey
PEMMBVCTNHEWLV-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- Benzyl 2-[(2-nitrophenyl)formamido]acetate
- IUPAC
- benzyl 2-[(2-nitrobenzoyl)amino]acetate
Names & synonyms
150374-96-2benzyl 2-[(2-nitrophenyl)formamido]acetateN-(2-Nitrobenzoyl)glycine phenylmethyl esterGlycine,N-(2-nitrobenzoyl)-,phenylmethyl esterSCHEMBL7301828DTXSID601256256Benzyl N-(2-nitrobenzoyl)glycinate
Database identifiers
- CAS
150374-96-2- PubChem CID
- 18959778
- DTXSID
DTXSID601256256
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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