(4-nitrophenyl)methyl 3-methyl-8-oxidanylidene-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-8-oxidanylidene-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-8-oxo-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-8-oxo-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-(phenoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N2C(C(C2=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-14-13-31-21-18(12-29-17-5-3-2-4-6-17)20(25)23(21)19(14)22(26)30-11-15-7-9-16(10-8-15)24(27)28/h2-10,18,21H,11-13H2,1H3