Basic information
- Standard SMILES
CCOC(=O)CC(=Cc1ccc(N)c(C)c1[N+](=O)[O-])C(=O)OCC- InChIKey
RXBQVRWXGHALRZ-UHFFFAOYSA-N- Molecular formula
- C16H20N2O6
- Average molar mass
- 336.34 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-[(4-amino-3-methyl-2-nitrophenyl)methylidene]butanedioate
- IUPAC
- diethyl 2-[(4-amino-3-methyl-2-nitrophenyl)methylidene]butanedioate
Names & synonyms
SCHEMBL2213414
Database identifiers
- PubChem CID
- 67319142
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
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