3-bromanyl-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-bromanyl-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-bromo-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-bromo-4-[[3-(4-nitrophenyl)-1-oxo-2-phenoxypropyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-bromo-4-[[3-(4-nitrophenyl)-2-phenoxypropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-bromo-8-keto-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H17BrN3O7S- MolecularWeight: 547.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4)Br)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4)Br)C(=O)[O-]

InChI

InChI=1S/C22H18BrN3O7S/c23-18-19(22(29)30)25-16(27)11-17(25)34-21(18)24-20(28)15(33-14-4-2-1-3-5-14)10-12-6-8-13(9-7-12)26(31)32/h1-9,15,17,21H,10-11H2,(H,24,28)(H,29,30)/p-1