Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(O)cc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
FBZDCPWAOOOFCH-UHFFFAOYSA-N- Molecular formula
- C24H24N2O7
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-1,4-dihydropyridine
- IUPAC
- 5-O-[2-(4-hydroxyphenyl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10756624FBZDCPWAOOOFCH-UHFFFAOYSA-N2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-1,4-dihydropyridine
Database identifiers
- PubChem CID
- 20197481
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 821
Related reactions
8 records
Compound notes
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