3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-(ethoxyimino)ethyl)-4-(3-nitrophenyl)-, methyl ester
Basic information
- CAS
89541-37-7- Standard SMILES
CCO/N=C/CC1C(C)=NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
CSQRAZYHJBVYEJ-KEBDBYFISA-N- Molecular formula
- C19H23N3O5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.16377084
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-(ethoxyimino)ethyl)-4-(3-nitrophenyl)-, methyl ester
- IUPAC
- methyl 3-[(2E)-2-ethoxyiminoethyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylate
Names & synonyms
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-(ethoxyimino)ethyl)-4-(3-nitrophenyl)-, methyl ester89541-37-7RefChem:1068679
Database identifiers
- CAS
89541-37-7- PubChem CID
- 129011840
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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