2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethyl 2-methylprop-2-enoate
Basic information
- CAS
118001-04-0- Standard SMILES
C=C(C)C(=O)OCCN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BADZWULHSKUTBI-SNAWJCMRSA-N- Molecular formula
- C21H22N2O4
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.15795719
Names & identifiers
- Preferred name
- 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethyl 2-methylprop-2-enoate
- IUPAC
- 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethyl 2-methylprop-2-enoate
Names & synonyms
SCHEMBL6046909
Database identifiers
- CAS
118001-04-0- PubChem CID
- 6443371
- Nikkaji
- J667.441K
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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