Basic information
- Standard SMILES
CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N1- InChIKey
LTIZFSKTOMABFJ-UHFFFAOYSA-N- Molecular formula
- C23H22N4O7
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.14884905
Names & identifiers
- Preferred name
- 2,6-Dimethyl4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-nicotinoylaminoethyl) ester
- IUPAC
- 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(pyridine-3-carbonylamino)ethoxycarbonyl]-1,4-dihydropyridine-3-carboxylic acid
Names & synonyms
SCHEMBL7377596LTIZFSKTOMABFJ-UHFFFAOYSA-N2,6-dimethyl4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-nicotinoylaminoethyl) ester
Database identifiers
- PubChem CID
- 10096067
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 892
Related reactions
2 records
Compound notes
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