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

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-7-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-chloro-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chloro-7-formyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H11ClN2O6S MolecularWeight: 382.77564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)C=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN2O6S/c16-11-7-25-14-10(5-19)13(20)17(14)12(11)15(21)24-6-8-1-3-9(4-2-8)18(22)23/h1-5,10,14H,6-7H2