(2E)-3-[2-[2-(4-nitrophenyl)ethanoylamino]ethoxy]-7-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-5,8-bis(oxidanylidene)-2-[oxidanyl(phenylmethoxy)methylidene]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium

Systemtic Name: (2E)-3-[2-[2-(4-nitrophenyl)ethanoylamino]ethoxy]-7-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-5,8-bis(oxidanylidene)-2-[oxidanyl(phenylmethoxy)methylidene]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium Openeye Name: (2E)-2-[benzyloxy(hydroxy)methylene]-3-[2-[[2-(4-nitrophenyl)acetyl]amino]ethoxy]-7-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium CAS Name: (2E)-2-[hydroxy(phenylmethoxy)methylidene]-7-[1-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-3-[2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]ethoxy]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium IUPAC Name: (2E)-2-[hydroxy(phenylmethoxy)methylidene]-3-[2-[[2-(4-nitrophenyl)acetyl]amino]ethoxy]-7-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium Traditional Name: (2E)-2-[benzoxy(hydroxy)methylene]-5,8-diketo-7-[1-(4-nitrobenzyl)oxycarbonyloxyethyl]-3-[2-[[2-(4-nitrophenyl)acetyl]amino]ethoxy]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium Formula: C34H31N6O13S+ MolecularWeight: 763.70734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(O)OCC3=CC=CC=C3)C(=C(S2=O)[N+]#N)OCCNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1C2N(C1=O)/C(=C(\O)/OCC3=CC=CC=C3)/C(=C(S2=O)[N+]#N)OCCNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H30N6O13S/c1-20(53-34(44)52-19-23-9-13-25(14-10-23)40(47)48)27-31(42)38-28(33(43)51-18-22-5-3-2-4-6-22)29(30(37-35)54(49)32(27)38)50-16-15-36-26(41)17-21-7-11-24(12-8-21)39(45)46/h2-14,20,27,32H,15-19H2,1H3,(H-,36,41,43)/p+1/b33-28+