Diethyl [(4-nitrophenyl)methylene]biscarbamate
Basic information
- CAS
43044-14-0- Standard SMILES
CCOC(=O)NC(NC(=O)OCC)c1ccc([N+](=O)[O-])cc1- InChIKey
KQKKAPWFMXOUDG-UHFFFAOYSA-N- Molecular formula
- C13H17N3O6
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.11173527
Names & identifiers
- Preferred name
- Diethyl [(4-nitrophenyl)methylene]biscarbamate
- IUPAC
- ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate
Names & synonyms
43044-14-0Diethyl [(4-nitrophenyl)methylene]biscarbamateNSC 278037Carbamic acid, [(4-nitrophenyl)methylene]bis-, diethyl esterNSC278037DTXSID30313877AKOS001606610NSC-278037AG-205/07675021ethyl [(ethoxycarbonyl)amino]{4-nitrophenyl}methylcarbamate
Database identifiers
- CAS
43044-14-0- PubChem CID
- 322121
- DTXSID
DTXSID30313877
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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