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

Systemtic Name: (4-nitrophenyl)methyl 3-(3-azidocyclopentyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(3-azidocyclopentyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(3-azidocyclopentyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(3-azidocyclopentyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(3-azidocyclopentyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

C1CC(CC1C2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C18H17N5O5S/c19-21-20-12-4-3-11(7-12)17-16(22-14(24)8-15(22)29-17)18(25)28-9-10-1-5-13(6-2-10)23(26)27/h1-2,5-6,11-12,15H,3-4,7-9H2