ethyl 4-[[(2E)-3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-hydroxyiminopropyl]amino]benzoate
Basic information
- CAS
30768-44-6- Standard SMILES
CCOC(=O)Nc1cc(NC/C(CNc2ccc(C(=O)OCC)cc2)=N/O)c([N+](=O)[O-])c(N)n1- InChIKey
NKOKTVCDYBRJNX-VULFUBBASA-N- Molecular formula
- C20H25N7O7
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.18154616
Names & identifiers
- Preferred name
- ethyl 4-[[(2E)-3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-hydroxyiminopropyl]amino]benzoate
- IUPAC
- ethyl 4-[[(2E)-3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-hydroxyiminopropyl]amino]benzoate
Names & synonyms
NSC11764430768-44-6SCHEMBL13328074DTXSID70430279NSC-117644Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate
Database identifiers
- CAS
30768-44-6- PubChem CID
- 9562334
- DTXSID
DTXSID70430279
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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