1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
Basic information
- CAS
34551-62-7- Standard SMILES
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1- InChIKey
BNFZVEKTXGCTQQ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Names & identifiers
- Preferred name
- 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
- IUPAC
- 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
Names & synonyms
34551-62-71,1'-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanoneNSC 149958DTXSID601880901,1'-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl]diethanoneRefChem:211950DTXCID901105811-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanoneNSC149958NSC-149958HMS547C15Maybridge1_001995
Show more names
Y9TC6FCN953,5-diacetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridineCCG-46631AKOS000539008NS00018713ST50002518SR-01000636317-13,5-diacetyl-4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine
Database identifiers
- CAS
34551-62-7- PubChem CID
- 288674
- DTXSID
DTXSID60188090- UNII
- Y9TC6FCN95
- Nikkaji
- J1.294.170F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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