Basic information
- Standard SMILES
Cc1ccc(C(=O)OCC#N)c(Nc2cccc([N+](=O)[O-])c2)n1- InChIKey
BPNHHCGWTIZWNX-UHFFFAOYSA-N- Molecular formula
- C15H12N4O4
- Average molar mass
- 312.28 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-2-(3-nitrophenylamino)nicotinic acid cyanomethyl ester
- IUPAC
- cyanomethyl 6-methyl-2-(3-nitroanilino)pyridine-3-carboxylate
Names & synonyms
SCHEMBL6644795BPNHHCGWTIZWNX-UHFFFAOYSA-N6-methyl-2-(3-nitrophenylamino)nicotinic acid cyanomethyl ester
Database identifiers
- PubChem CID
- 69850253
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 484
Related reactions
3 records
Compound notes
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