Basic information
- CAS
89541-49-1- Standard SMILES
CCOCCO/N=C(/CC1C(C)=NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1)OC- InChIKey
JXJOMQKMPPMIJF-CLCOLTQESA-N- Molecular formula
- C22H29N3O7
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.20055027
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-((2-ethoxyethoxy)imino)-2-methoxyethyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 3-[(2Z)-2-(2-ethoxyethoxyimino)-2-methoxyethyl]-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-ethoxyethoxy)imino)-2-methoxyethyl)-4-(3-nitrophenyl)-, methyl ester89541-49-1RefChem:1068677
Database identifiers
- CAS
89541-49-1- PubChem CID
- 129011850
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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