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

Systemtic Name: (4-nitrophenyl)methyl 3-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(hydroxymethyl)-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-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-methylol-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c17-6-10-13(15-11(18)5-12(15)23-10)14(19)22-7-8-1-3-9(4-2-8)16(20)21/h1-4,12,17H,5-7H2