Basic information
- Standard SMILES
COC(=O)C(Nc1ccc(C#N)cc1)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]- InChIKey
FWQPDWLBHVKSDU-UHFFFAOYSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-(4-cyano-phenylamino)-acetic acid methyl ester
- IUPAC
- methyl 2-(4-cyanoanilino)-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetate
Names & synonyms
SCHEMBL5428477FWQPDWLBHVKSDU-UHFFFAOYSA-N(4-Benzyloxy-5-methoxy-2-nitro-phenyl)-(4-cyano-phenylamino)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 22890463
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
Related reactions
4 records
Compound notes
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