Basic information
- CAS
5330-95-0- Standard SMILES
O=C(CCC(=O)NOC(=O)c1ccccc1)NOC(=O)c1ccccc1- InChIKey
NIMAMWHETPSIMA-UHFFFAOYSA-N- Molecular formula
- C18H16N2O6
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.10083623
Names & identifiers
- Preferred name
- [[4-(Benzoyloxyamino)-4-oxobutanoyl]amino] benzoate
- IUPAC
- [[4-(benzoyloxyamino)-4-oxobutanoyl]amino] benzoate
Names & synonyms
[[4-(benzoyloxyamino)-4-oxobutanoyl]amino] benzoate5330-95-0NSC2542N, DIBENZOATENSC-2542
Database identifiers
- CAS
5330-95-0- PubChem CID
- 220183
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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