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

Systemtic Name: (4-nitrophenyl)methyl 3-(2-azidoethoxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-azidoethoxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-azidoethoxymethyl)-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-(2-azidoethoxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-azidoethoxymethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15N5O6S MolecularWeight: 405.3852

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)COCCN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)COCCN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O6S/c17-19-18-5-6-26-9-12-15(20-13(22)7-14(20)28-12)16(23)27-8-10-1-3-11(4-2-10)21(24)25/h1-4,14H,5-9H2