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

Systemtic Name: [nitro(phenyl)methyl] 3-[(5-methoxycarbonyl-4-methyl-1,2,3-triazol-1-yl)methyl]-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [nitro(phenyl)methyl] 3-[(5-methoxycarbonyl-4-methyl-triazol-1-yl)methyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-[(5-methoxycarbonyl-4-methyl-1-triazolyl)methyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 3-[(5-methoxycarbonyl-4-methyltriazol-1-yl)methyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-[(5-carbomethoxy-4-methyl-triazol-1-yl)methyl]-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester Formula: C20H21N5O7S MolecularWeight: 475.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=N1)CC2(C(N3C(S2)CC3=O)C(=O)OC(C4=CC=CC=C4)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(N(N=N1)CC2(C(N3C(S2)CC3=O)C(=O)OC(C4=CC=CC=C4)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C20H21N5O7S/c1-11-15(18(27)31-3)23(22-21-11)10-20(2)16(24-13(26)9-14(24)33-20)19(28)32-17(25(29)30)12-7-5-4-6-8-12/h4-8,14,16-17H,9-10H2,1-3H3