2-[2-iodanylethanoyl-[(E)-2-[6'-[(2-nitrophenyl)methoxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyethylideneamino]amino]ethanoic acid

Systemtic Name: 2-[2-iodanylethanoyl-[(E)-2-[6'-[(2-nitrophenyl)methoxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyethylideneamino]amino]ethanoic acid Openeye Name: 2-[(2-iodoacetyl)-[(E)-2-[6'-[(2-nitrophenyl)methoxy]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]oxyethylideneamino]amino]acetic acid CAS Name: 2-[(2-iodo-1-oxoethyl)-[(E)-2-[[6'-[(2-nitrophenyl)methoxy]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]oxy]ethylideneamino]amino]acetic acid IUPAC Name: 2-[(2-iodoacetyl)-[(E)-2-[6'-[(2-nitrophenyl)methoxy]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxyethylideneamino]amino]acetic acid Traditional Name: 2-[(2-iodoacetyl)-[(E)-2-[3-keto-6'-(2-nitrobenzyl)oxy-spiro[phthalan-1,9'-xanthene]-3'-yl]oxyethylideneamino]amino]acetic acid Formula: C33H24IN3O10 MolecularWeight: 749.46223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OCC=NN(CC(=O)O)C(=O)CI)C6=CC=CC=C6C(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OC/C=N/N(CC(=O)O)C(=O)CI)C6=CC=CC=C6C(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C33H24IN3O10/c34-17-30(38)36(18-31(39)40)35-13-14-44-21-9-11-25-28(15-21)46-29-16-22(45-19-20-5-1-4-8-27(20)37(42)43)10-12-26(29)33(25)24-7-3-2-6-23(24)32(41)47-33/h1-13,15-16H,14,17-19H2,(H,39,40)/b35-13+