1-(p-(2-(Dimethylamino)ethoxy)phenyl)-1,2-diphenyl-2-nitroethylene citrate, (E)-
Basic information
- CAS
20079-11-2- Standard SMILES
CN(C)CCOc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
BXPYIGYEBLKLDU-XMXXDQCKSA-N- Molecular formula
- C30H32N2O10
- Average molar mass
- 580.6 g/mol
- Monoisotopic mass
- 580.20569522
Names & identifiers
- Preferred name
- 1-(p-(2-(Dimethylamino)ethoxy)phenyl)-1,2-diphenyl-2-nitroethylene citrate, (E)-
- IUPAC
- N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenylethenyl]phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
9D93ZJY3ARUNII-9D93ZJY3AR1-(p-(2-(Dimethylamino)ethoxy)phenyl)-1,2-diphenyl-2-nitroethylene citrate, (E)-20079-11-2Ethylamine, N,N-dimethyl-2-(p-(2-nitro-1,2-diphenylvinyl)phenoxy)-, citrate (1:1), (E)-Q27272391(E)-1-(p-(2-(dimethylamino)ethoxy)phenyl)-1,2-diphenyl-2-nitroethylene citrate
Database identifiers
- CAS
20079-11-2- PubChem CID
- 21150769
- UNII
- 9D93ZJY3AR
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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