(4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-(p-tolylsulfonyloxy)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-methylphenyl)sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-tosyloxy-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8S/c1-13-2-8-17(9-3-13)32(28,29)31-18-10-16-11-19(24)22(16)20(18)21(25)30-12-14-4-6-15(7-5-14)23(26)27/h2-9,16H,10-12H2,1H3