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

Systemtic Name: (4-nitrophenyl)methyl 7-azanyl-3-chloranyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-chloro-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H14ClN3O6S MolecularWeight: 399.80616

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C15H14ClN3O6S/c1-24-15(17)13(21)18-11(10(16)7-26-14(15)18)12(20)25-6-8-2-4-9(5-3-8)19(22)23/h2-5,14H,6-7,17H2,1H3