3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-((2-ethoxy-2-oxoethoxy)imino)ethyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
89541-38-8- Standard SMILES
CCOC(=O)CO/N=C/CC1C(C)=NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
GNBLPQBYBHRPBZ-LSHDLFTRSA-N- Molecular formula
- C21H25N3O7
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.16925015
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-((2-ethoxy-2-oxoethoxy)imino)ethyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 3-[(2E)-2-(2-ethoxy-2-oxoethoxy)iminoethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylate
Names & synonyms
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-((2-ethoxy-2-oxoethoxy)imino)ethyl)-4-(3-nitrophenyl)-, methyl ester89541-38-8RefChem:1068676
Database identifiers
- CAS
89541-38-8- PubChem CID
- 129011841
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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