Dimethyl 4-[2-(2-aminoethoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCN- InChIKey
XMGXOLSCJJGHCO-UHFFFAOYSA-N- Molecular formula
- C19H23N3O7
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.15360008
Names & identifiers
- Preferred name
- Dimethyl 4-[2-(2-aminoethoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-[2-(2-aminoethoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL9825000XMGXOLSCJJGHCO-UHFFFAOYSA-Ndimethyl 4-[2-(2-aminoethoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 14050436
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Related reactions
2 records
Compound notes
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