N-(2-Ethoxyethoxy)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid
Basic information
- CAS
133147-10-1- Standard SMILES
CCOCCONC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
BIIFWRNNQIQZJJ-UHFFFAOYSA-N- Molecular formula
- C20H25N3O7
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.16925015
Names & identifiers
- Preferred name
- N-(2-Ethoxyethoxy)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid
- IUPAC
- methyl 5-(2-ethoxyethoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
133147-10-1DTXSID00927965N-(2-Ethoxyethoxy)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acidRefChem:1091033DTXCID601356743BRN 42769903-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((2-ethoxyethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Database identifiers
- CAS
133147-10-1- PubChem CID
- 3076980
- DTXSID
DTXSID00927965- Nikkaji
- J362.605I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…