Basic information
- CAS
37964-18-4- Standard SMILES
CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1[N+](=O)[O-]- InChIKey
LWEOWSYMCBUJJU-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.09535693
Names & identifiers
- Preferred name
- Ethyl 2-methyl-4-nitro-5-phenyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2-methyl-4-nitro-5-phenyl-1H-pyrrole-3-carboxylate
Names & synonyms
Ethyl 2-methyl-4-nitro-5-phenyl-1H-pyrrole-3-carboxylateDTXSID50120293737964-18-4
Database identifiers
- CAS
37964-18-4- PubChem CID
- 14616640
- DTXSID
DTXSID501202937
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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