3-(3-Nitrophenyl)-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine
Basic information
- CAS
6638-20-6- Standard SMILES
O=[N+]([O-])c1cccc(N2COc3c(ccc4ccccc34)C2)c1- InChIKey
GCAWLSXZBLFREI-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 3-(3-Nitrophenyl)-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine
- IUPAC
- 3-(3-nitrophenyl)-2,4-dihydrobenzo[h][1,3]benzoxazine
Names & synonyms
3-(3-nitrophenyl)-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine6638-20-63-(3-NITROPHENYL)-2H,3H,4H-NAPHTHO[2,1-E][1,3]OXAZINENSC47919DTXSID80286825NSC-47919
Database identifiers
- CAS
6638-20-6- PubChem CID
- 240940
- DTXSID
DTXSID80286825
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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