[nitro(phenyl)methyl] 3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]-1,2,3-triazol-1-yl]methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]-1,2,3-triazol-1-yl]methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [nitro(phenyl)methyl] 3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]triazol-1-yl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-3-[[5-[(4-nitrophenyl)methoxy-oxomethyl]-1-triazolyl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]triazol-1-yl]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-[[5-(4-nitrobenzyl)oxycarbonyltriazol-1-yl]methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester Formula: C25H22N6O9S MolecularWeight: 582.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C(=CN=N4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])CN4C(=CN=N4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O9S/c1-25(14-28-18(12-26-27-28)23(33)39-13-15-7-9-17(10-8-15)30(35)36)21(29-19(32)11-20(29)41-25)24(34)40-22(31(37)38)16-5-3-2-4-6-16/h2-10,12,20-22H,11,13-14H2,1H3