2-[[6-[4-anthracen-9-yl-6-[6-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: 2-[[6-[4-anthracen-9-yl-6-[6-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: 2-[[6-[4-(9-anthryl)-6-[6-[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-2-pyridyl]-2-pyridyl]-2-pyridyl]methyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: 2-[[6-[4-(9-anthracenyl)-6-[6-[[bis(2-oxido-2-oxoethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: 2-[[6-[4-anthracen-9-yl-6-[6-[[bis(2-oxido-2-oxoethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: 2-[[6-[4-(9-anthryl)-6-[6-[[bis(2-keto-2-oxido-ethyl)amino]methyl]-2-pyridyl]-2-pyridyl]-2-pyridyl]methyl-(2-keto-2-oxido-ethyl)amino]acetate Formula: C39H29N5O8-4 MolecularWeight: 695.67626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC(=NC(=C4)C5=NC(=CC=C5)CN(CC(=O)[O-])CC(=O)[O-])C6=NC(=CC=C6)CN(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC(=NC(=C4)C5=NC(=CC=C5)CN(CC(=O)[O-])CC(=O)[O-])C6=NC(=CC=C6)CN(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C39H33N5O8/c45-35(46)20-43(21-36(47)48)18-27-9-5-13-31(40-27)33-16-26(39-29-11-3-1-7-24(29)15-25-8-2-4-12-30(25)39)17-34(42-33)32-14-6-10-28(41-32)19-44(22-37(49)50)23-38(51)52/h1-17H,18-23H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)/p-4