Basic information
- CAS
21038-12-0- Standard SMILES
NC(=O)OCCN1Cc2ccc([N+](=O)[O-])cc2CO1- InChIKey
CVGRWCDFXQGLOY-UHFFFAOYSA-N- Molecular formula
- C11H13N3O5
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.08552052
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-3-(2-carbamoyloxyethyl)-7-nitro-
- IUPAC
- 2-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate
Names & synonyms
BRN 11497531H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-(2-CARBAMOYLOXYETHYL)-7-NITRO-21038-12-0DTXSID801752453-(2-Carbamoyloxyethyl)-7-nitro-3,4-dihydro-1H-2,3-benzoxazine1H-2,3-Benzoxazine, 3-(2-carbamoyloxyethyl)-3,4-dihydro-7-nitro-RefChem:237267DTXCID60977362-(7-Nitro-1,4-dihydro-3H-2,3-benzoxazin-3-yl)ethyl carbamate
Database identifiers
- CAS
21038-12-0- PubChem CID
- 30451
- DTXSID
DTXSID80175245- Nikkaji
- J41.923K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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