N-(Benzoyloxy)-3-[(benzoyloxy)amino]-3-iminopropanimidic acid
Basic information
- CAS
93332-67-3- Standard SMILES
N/C(CC(=O)NOC(=O)c1ccccc1)=N\OC(=O)c1ccccc1- InChIKey
OGVLASGSFDFSCU-UHFFFAOYSA-N- Molecular formula
- C17H15N3O5
- Average molar mass
- 341.32 g/mol
- Monoisotopic mass
- 341.10117059
Names & identifiers
- Preferred name
- N-(Benzoyloxy)-3-[(benzoyloxy)amino]-3-iminopropanimidic acid
- IUPAC
- [[(3Z)-3-amino-3-benzoyloxyiminopropanoyl]amino] benzoate
Names & synonyms
93332-67-3CHEMBL1968110DTXSID10918506NCI60_004438N-(Benzoyloxy)-3-[(benzoyloxy)amino]-3-iminopropanimidic acid
Database identifiers
- CAS
93332-67-3- PubChem CID
- 9605093
- DTXSID
DTXSID10918506- ChEMBL
CHEMBL1968110
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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