Ethyl ester, oxime
Basic information
- CAS
82585-59-9- Standard SMILES
CCOC(=O)Nc1cc(NC/C(=N/O)c2ccccc2)c([N+](=O)[O-])c(N)n1- InChIKey
QXHCZOFUMQWCPT-MTJSOVHGSA-N- Molecular formula
- C16H18N6O5
- Average molar mass
- 374.35 g/mol
- Monoisotopic mass
- 374.1338677
Names & identifiers
- Preferred name
- Ethyl ester, oxime
- IUPAC
- ethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-2-phenylethyl]amino]-5-nitro-2-pyridinyl]carbamate
Names & synonyms
ethyl ester, oxime82585-59-9SCHEMBL13327961DTXSID30421567NSC330769NSC-330769Carbamic acid,6-amino-5-nitro-4-[(2-phenyl-2- oxoethyl)amino]pyridin-2-ylEthyl (6-amino-4-{[(2E)-2-(hydroxyimino)-2-phenylethyl]amino}-5-nitropyridin-2-yl)carbamateethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-2-phenyl-ethyl]amino]-5-nitro-2-pyridyl]carbamate
Database identifiers
- CAS
82585-59-9- PubChem CID
- 5970541
- DTXSID
DTXSID30421567
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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