(4-nitrophenyl)methyl 3-chloranyl-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-chloro-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-chloro-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-chloro-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H12ClN3O6S MolecularWeight: 397.79028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2C(=CSC3N2C(=O)C3NC=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2C(=CSC3N2C(=O)C3NC=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O6S/c16-10-6-26-14-11(17-7-20)13(21)18(14)12(10)15(22)25-5-8-1-3-9(4-2-8)19(23)24/h1-4,6-7,11-12,14H,5H2,(H,17,20)