Basic information
- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc3c(c2)OCC(=O)N3)s1- InChIKey
KWZTZVSHRDCOET-UHFFFAOYSA-N- Molecular formula
- C14H10N2O7S
- Average molar mass
- 350.31 g/mol
Names & identifiers
- Preferred name
- Methyl 4-nitro-5-((3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)oxy)thiophene-2-carboxylate
- IUPAC
- methyl 4-nitro-5-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2680320KWZTZVSHRDCOET-UHFFFAOYSA-NMethyl 4-nitro-5-((3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)oxy)thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 67494597
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Related reactions
1 records
Compound notes
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