Basic information
- Standard SMILES
Cl.NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCS[C@H]12- InChIKey
QCUWDJVZLFMUIZ-ASSPZCQQSA-N- Molecular formula
- C14H14ClN3O5S
- Average molar mass
- 371.8 g/mol
Names & identifiers
- Preferred name
- p-Nitrobenzyl 7-amino-3-cephem-4-carboxylate hydrochloride
- IUPAC
- (4-nitrophenyl)methyl (6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Names & synonyms
SCHEMBL10419498QCUWDJVZLFMUIZ-ASSPZCQQSA-Np-nitrobenzyl 7-amino-3-cephem-4-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 70362167
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 553
Related reactions
25 records
Compound notes
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