Basic information
- CAS
67133-30-6- Standard SMILES
O=[N+]([O-])c1ccc(C2CC3COc4ccccc4C3=N2)cc1- InChIKey
XCXLDOAETOHPKD-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-2,3,3a,4-tetrahydro[1]benzopyrano[4,3-b]pyrrole
- IUPAC
- 2-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-b]pyrrole
Names & synonyms
67133-30-6NSC279229DTXSID403139642-(4-Nitrophenyl)-2,3,3a,4-tetrahydro[1]benzopyrano[4,3-b]pyrroleNSC-279229DS-007879[1]Benzopyrano[4,3-b]pyrrole, 2,3,3a,4-tetrahydro-2-(4-nitrophenyl)-
Database identifiers
- CAS
67133-30-6- PubChem CID
- 322299
- DTXSID
DTXSID40313964
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…