(4-nitrophenyl)methyl 3-(benzotriazol-1-ylmethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(benzotriazol-1-ylmethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(benzotriazol-1-ylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(1-benzotriazolylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(benzotriazol-1-ylmethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(benzotriazol-1-ylmethyl)-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H19N5O5S MolecularWeight: 453.47106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N5O5S/c1-21(12-24-16-5-3-2-4-15(16)22-23-24)19(25-17(27)10-18(25)32-21)20(28)31-11-13-6-8-14(9-7-13)26(29)30/h2-9,18-19H,10-12H2,1H3