Basic information
- CAS
99450-77-8- Standard SMILES
COC(=O)c1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1- InChIKey
NIBWPUGZCXNNPC-UHFFFAOYSA-N- Molecular formula
- C16H15N3O4
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.10625597
Names & identifiers
- Preferred name
- 4'-Carbomethoxyphenyl 4-guanidinobenzoate
- IUPAC
- (4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate
- English name
- 4'-carbomethoxyphenyl 4-guanidinobenzoate
- Molecular formula
- C16H15N3O4
- Molecular weight
- 0
Names & synonyms
4'-Cmgb4'-Carbomethoxyphenyl 4-guanidinobenzoate99450-77-8DTXSID20244065RefChem:95941DTXCID20166556CHEMBL1195245CHEMBL1911252(4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoateSCHEMBL7328271BDBM50069133BDBM50356332
Show more names
4'-methyl formate-4-guanidinobenzoate
4-(Methoxycarbonyl)phenyl 4-[(diaminomethylidene)amino]benzoateBenzoic acid, 4-((aminoimimomethyl)amino)-, 4-(methoxycarbonyl)phenyl ester
Database identifiers
- CAS
99450-77-8- PubChem CID
- 33346
- DTXSID
DTXSID20244065- ChEMBL
CHEMBL1195245、CHEMBL1911252- Nikkaji
- J2.387.263C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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