Dimethyl 4-[2-(2-aminoethoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

HCID 14050436
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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 properties

XLogP
1.2
Topological polar surface area
146 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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