Basic information
- Standard SMILES
CCOC(=O)CC(=NNc1ccc(C(=O)O)cc1C)C(C)=O- InChIKey
NNJLROVJIWNLSQ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O5
- Average molar mass
- 306.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-carboxy-2-methylphenylhydrazono)-4-oxopentanoate
- IUPAC
- 4-[2-(1-ethoxy-1,4-dioxopentan-3-ylidene)hydrazinyl]-3-methylbenzoic acid
Names & synonyms
SCHEMBL7986127NNJLROVJIWNLSQ-UHFFFAOYSA-Nethyl 3-(4-carboxy-2-methylphenylhydrazono)-4-oxopentanoate3-methyl-4-[N'-(2-ethoxycarbonyl-1-acetylethylidene)hydrazino]benzoic acid3-methyl-4-[N'-(2-ethoxycarbonyl-1-acetyl-ethylidene)hydrazino]benzoic acid
Database identifiers
- PubChem CID
- 86751496
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
11 records
Linked notes
Loading…