3-ethyl-5-nitro-3-pyridin-2-yl-3,4-dihydro-2H-1,4-benzoxazine

HCID 90409367
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC1(c2ccccn2)COc2cccc([N+](=O)[O-])c2N1
InChIKey
QRNAZVRJRONIDI-UHFFFAOYSA-N
Molecular formula
C15H15N3O3
Average molar mass
285.3 g/mol

Names & identifiers

Preferred name
3-ethyl-5-nitro-3-pyridin-2-yl-3,4-dihydro-2H-1,4-benzoxazine
IUPAC
3-ethyl-5-nitro-3-pyridin-2-yl-2,4-dihydro-1,4-benzoxazine

Names & synonyms

SCHEMBL16036478QRNAZVRJRONIDI-UHFFFAOYSA-N3-ethyl-5-nitro-3-pyridin-2-yl-3,4-dihydro-2H-1,4-benzoxazine

Database identifiers

PubChem CID
90409367

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
80 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

Loading…