(4-nitrophenyl)methyl 8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CN(S2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=CN(S2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c23-17-10-18-21(17)16(11-20(28-18)14-4-2-1-3-5-14)19(24)27-12-13-6-8-15(9-7-13)22(25)26/h1-9,11,18H,10,12H2