2-Cyanoethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1=C(C(=O)OCCC#N)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1- InChIKey
RNCCMYFYNIKOBU-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- 2-Cyanoethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- 2-cyanoethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
SCHEMBL7824821RNCCMYFYNIKOBU-UHFFFAOYSA-N2-cyanoethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Database identifiers
- PubChem CID
- 19958910
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 798
Related reactions
3 records
Compound notes
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