2-[[2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methyl]phenoxy]ethoxy]-4-methyl-phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: 2-[[2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methyl]phenoxy]ethoxy]-4-methyl-phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: 2-[2-[2-[2-[bis(2-oxido-2-oxo-ethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-N-(2-oxido-2-oxo-ethyl)anilino]acetate CAS Name: 2-[2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: 2-[2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-N-(2-oxido-2-oxoethyl)anilino]acetate Traditional Name: 2-[2-[2-[2-[bis(2-keto-2-oxido-ethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(2-keto-2-oxido-ethyl)-4-methyl-anilino]acetate Formula: C31H27N3O15-4 MolecularWeight: 681.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C31H31N3O15/c1-17-2-4-20(32(12-27(35)36)13-28(37)38)23(8-17)46-6-7-47-24-9-18(3-5-21(24)33(14-29(39)40)15-30(41)42)31(43)19-10-25-26(49-16-48-25)11-22(19)34(44)45/h2-5,8-11,31,43H,6-7,12-16H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/p-4