3-Pyridinecarboxylic acid, 1,4-dihydro-5-(1-(butoxyimino)ethyl)-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
89541-43-5- Standard SMILES
CCCCO/N=C/CC1C(C)=NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
NEIPIPPBCDNKHT-SSDVNMTOSA-N- Molecular formula
- C21H27N3O5
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.19507097
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(1-(butoxyimino)ethyl)-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 3-[(2E)-2-butoxyiminoethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylate
Names & synonyms
3-Pyridinecarboxylic acid, 1,4-dihydro-5-(1-(butoxyimino)ethyl)-2,6-dimethyl-4-(3-nitrophenyl)-, methyl ester89541-43-5RefChem:1068683
Database identifiers
- CAS
89541-43-5- PubChem CID
- 129011844
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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