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

Systemtic Name: (4-nitrophenyl)methyl 3-(3-azidopropyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(3-azidopropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(3-azidopropyl)-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-azidopropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(3-azidopropyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5S/c17-19-18-7-1-2-12-15(20-13(22)8-14(20)27-12)16(23)26-9-10-3-5-11(6-4-10)21(24)25/h3-6,14H,1-2,7-9H2