Basic information
- CAS
84688-07-3- Standard SMILES
CCOC(=O)Nc1cc(NCC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c(N)n1- InChIKey
QXYXSIHLCIKAJS-UHFFFAOYSA-N- Molecular formula
- C16H16N6O7
- Average molar mass
- 404.33 g/mol
- Monoisotopic mass
- 404.10804687
Names & identifiers
- Preferred name
- ethyl N-[6-amino-5-nitro-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]pyridin-2-yl]carbamate
- IUPAC
- ethyl N-[6-amino-5-nitro-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-2-pyridinyl]carbamate
Names & synonyms
84688-07-3ethyl N-[6-amino-5-nitro-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]pyridin-2-yl]carbamateSCHEMBL13327912DTXSID40330914Ethyl (6-amino-5-nitro-4-{[2-(4-nitrophenyl)-2-oxoethyl]amino}pyridin-2-yl)carbamate[4-[2-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridyl]amino]acetyl]phenyl]-hydroxy-oxo-ammoniumAmmonium, [4-[[[2-amino-6-[(ethoxycarbonyl)amino]-3-nitro-4-pyridinyl]amino]acetyl]phenyl]hydroxyoxo-
Database identifiers
- CAS
84688-07-3- PubChem CID
- 433557
- DTXSID
DTXSID40330914
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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