Basic information
- Standard SMILES
CCOC(=O)C(C#N)c1ccc(OC)cc1[N+](=O)[O-]- InChIKey
PHIBLMQEMMBXDX-UHFFFAOYSA-N- Molecular formula
- C12H12N2O5
- Average molar mass
- 264.23 g/mol
Names & identifiers
- Preferred name
- Cyano-(4-methoxy-2-nitro-phenyl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate
Names & synonyms
cyano-(4-methoxy-2-nitro-phenyl)-acetic acid ethyl ester65547-98-0ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetateSCHEMBL2430950PHIBLMQEMMBXDX-UHFFFAOYSA-NGS4172
Database identifiers
- PubChem CID
- 11086625
- Nikkaji
- J2.260.150D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Compound notes
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