(4-nitrophenyl)methyl 6-azanyl-3-(3-azanyl-2-oxidanylidene-imidazolidin-1-yl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-azanyl-3-(3-azanyl-2-oxidanylidene-imidazolidin-1-yl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-amino-3-(3-amino-2-oxo-imidazolidin-1-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylate CAS Name: 6-amino-3-(3-amino-2-oxo-1-imidazolidinyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-amino-3-(3-amino-2-oxoimidazolidin-1-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylate Traditional Name: 6-amino-3-(3-amino-2-keto-imidazolidin-1-yl)-7-keto-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N6O6S MolecularWeight: 422.41572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1C2(CN3C(S2)C(C3=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CN(C(=O)N1C2(CN3C(S2)C(C3=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C16H18N6O6S/c17-11-12(23)19-8-16(29-13(11)19,20-5-6-21(18)15(20)25)14(24)28-7-9-1-3-10(4-2-9)22(26)27/h1-4,11,13H,5-8,17-18H2