[Butyl(1,2,3,4-tetrahydro-6-nitro-5-quinolinyl)-amino]oxo-acetic Acid Ethyl Ester
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Basic information
- Standard SMILES
CCCCN(C(=O)C(=O)OCC)c1c([N+](=O)[O-])ccc2c1CCCN2- InChIKey
AUZXWYPFRILKHE-UHFFFAOYSA-N- Molecular formula
- C17H23N3O5
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.16377084
Names & identifiers
- Preferred name
- [Butyl(1,2,3,4-tetrahydro-6-nitro-5-quinolinyl)-amino]oxo-acetic Acid Ethyl Ester
- IUPAC
- ethyl 2-[butyl-(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)amino]-2-oxoacetate
Names & synonyms
SCHEMBL6789350AUZXWYPFRILKHE-UHFFFAOYSA-N[Butyl(1,2,3,4-tetrahydro-6-nitro-5-quinolinyl)-amino]oxo-acetic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 53663592
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
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Related reactions
1 records
Compound notes
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