Basic information
- CAS
65101-47-5- Standard SMILES
COC(=O)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1- InChIKey
BGNZWWWPWYCJCC-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, methyl ester, N-oxide
- IUPAC
- methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
- English name
- 3-[[4-(Methyloxycarbonyl)phenyl]carbamoyl]pyridine 1-oxide
- Molecular weight
- 0
Names & synonyms
65101-47-5BENZOIC ACID, 3-((4-PYRIDINYLCARBONYL)AMINO)-, METHYL ESTER, N-OXIDE3-((4-Pyridinylcarbonyl)amino)benzoic acid methyl ester N-oxideDTXSID00215410RefChem:327121DTXCID001379013-[[4-(Methyloxycarbonyl)phenyl]carbamoyl]pyridine 1-oxideCDS1_003572methyl 3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoateCBMicro_010996Oprea1_566219DivK1c_004612
Show more names
SMSF0003771AKOS000525444CB14398NCGC00322042-01BIM-0011122.P001EU-0068304AB01317465-02Z29849511
Database identifiers
- CAS
65101-47-5- PubChem CID
- 47523
- DTXSID
DTXSID00215410
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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