Basic information
- Standard SMILES
O=C(O)C1(c2ccccn2)COc2cccc([N+](=O)[O-])c2N1- InChIKey
VVIHRROKRNLRSC-UHFFFAOYSA-N- Molecular formula
- C14H11N3O5
- Average molar mass
- 301.25 g/mol
Names & identifiers
- Preferred name
- 5-nitro-3-pyridin-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
- IUPAC
- 5-nitro-3-pyridin-2-yl-2,4-dihydro-1,4-benzoxazine-3-carboxylic acid
Names & synonyms
SCHEMBL16036149SCHEMBL29938275VVIHRROKRNLRSC-UHFFFAOYSA-N5-nitro-3-pyridin-2-yl-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
Database identifiers
- PubChem CID
- 90409109
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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