[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[12-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-3-yl]oxydodecoxy]propan-2-yl] 11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoate

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[12-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-3-yl]oxydodecoxy]propan-2-yl] 11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-[12-[9-(diethylamino)-5-oxo-benzo[a]phenoxazin-3-yl]oxydodecoxy]ethyl] 11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoate CAS Name: 11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[12-[[9-(diethylamino)-5-oxo-3-benzo[a]phenoxazinyl]oxy]dodecoxy]propan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[12-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]oxydodecoxy]propan-2-yl] 11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoate Traditional Name: 11-[(7-nitrobenzofurazan-4-yl)amino]undecanoic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-[12-[9-(diethylamino)-5-keto-benzo[a]phenoxazin-3-yl]oxydodecoxy]ethyl] ester Formula: C54H76N7O13P MolecularWeight: 1062.194101

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)OCCCCCCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C(=O)C=C3O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=C(C=C(C=C4)OCCCCCCCCCCCCOCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C(=O)C=C3O2

InChI

InChI=1S/C54H76N7O13P/c1-3-60(4-2)40-24-27-45-49(35-40)73-50-37-48(62)44-36-41(25-26-43(44)52(50)57-45)69-33-22-18-14-10-6-5-9-13-17-21-32-68-38-42(39-71-75(66,67)70-34-30-55)72-51(63)23-19-15-11-7-8-12-16-20-31-56-46-28-29-47(61(64)65)54-53(46)58-74-59-54/h24-29,35-37,42,56H,3-23,30-34,38-39,55H2,1-2H3,(H,66,67)