[4-[3-[1-bis(fluoranyl)boranyl-5-[(Z)-[5-[3-oxidanylidene-3-[(4-phosphonooxyphenyl)amino]propyl]pyrrol-2-ylidene]methyl]pyrrol-2-yl]propanoylamino]phenyl] dihydrogen phosphate

Systemtic Name: [4-[3-[1-bis(fluoranyl)boranyl-5-[(Z)-[5-[3-oxidanylidene-3-[(4-phosphonooxyphenyl)amino]propyl]pyrrol-2-ylidene]methyl]pyrrol-2-yl]propanoylamino]phenyl] dihydrogen phosphate Openeye Name: [4-[3-[1-difluoroboranyl-5-[(Z)-[5-[3-oxo-3-(4-phosphonooxyanilino)propyl]pyrrol-2-ylidene]methyl]pyrrol-2-yl]propanoylamino]phenyl] dihydrogen phosphate CAS Name: [4-[[3-[1-difluoroboranyl-5-[(Z)-[5-[3-oxo-3-(4-phosphonooxyanilino)propyl]-2-pyrrolylidene]methyl]-2-pyrrolyl]-1-oxopropyl]amino]phenyl] dihydrogen phosphate IUPAC Name: [4-[3-[1-difluoroboranyl-5-[(Z)-[5-[3-oxo-3-(4-phosphonooxyanilino)propyl]pyrrol-2-ylidene]methyl]pyrrol-2-yl]propanoylamino]phenyl] dihydrogen phosphate Traditional Name: [4-[3-[1-difluoroboranyl-5-[(Z)-[5-[3-keto-3-(4-phosphonooxyanilino)propyl]pyrrol-2-ylidene]methyl]pyrrol-2-yl]propanoylamino]phenyl] dihydrogen phosphate Formula: C27H27BF2N4O10P2 MolecularWeight: 678.279408

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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC=C1C=C2C=CC(=N2)CCC(=O)NC3=CC=C(C=C3)OP(=O)(O)O)CCC(=O)NC4=CC=C(C=C4)OP(=O)(O)O)(F)F

Isomeric SMILES

B(N1C(=CC=C1/C=C\2/C=CC(=N2)CCC(=O)NC3=CC=C(C=C3)OP(=O)(O)O)CCC(=O)NC4=CC=C(C=C4)OP(=O)(O)O)(F)F

InChI

InChI=1S/C27H27BF2N4O10P2/c29-28(30)34-22(10-16-27(36)33-20-5-13-25(14-6-20)44-46(40,41)42)8-9-23(34)17-21-2-1-18(31-21)7-15-26(35)32-19-3-11-24(12-4-19)43-45(37,38)39/h1-6,8-9,11-14,17H,7,10,15-16H2,(H,32,35)(H,33,36)(H2,37,38,39)(H2,40,41,42)/b21-17-