[(3R,4R,5R,6R)-6-[[2-chloroethyl(nitroso)carbamoyl]amino]-4,5-bis[(4-nitrophenyl)carbonyloxy]oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [(3R,4R,5R,6R)-6-[[2-chloroethyl(nitroso)carbamoyl]amino]-4,5-bis[(4-nitrophenyl)carbonyloxy]oxan-3-yl] 4-nitrobenzoate Openeye Name: [(3R,4R,5R,6R)-6-[[2-chloroethyl(nitroso)carbamoyl]amino]-4,5-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,4R,5R,6R)-6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-4,5-bis[(4-nitrophenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-6-[[2-chloroethyl(nitroso)carbamoyl]amino]-4,5-bis[(4-nitrobenzoyl)oxy]oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R,4R,5R,6R)-6-[[2-chloroethyl(nitroso)carbamoyl]amino]-4,5-bis[(4-nitrobenzoyl)oxy]tetrahydropyran-3-yl] ester Formula: C29H23ClN6O15 MolecularWeight: 730.97712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@H]([C@H]([C@@H](O1)NC(=O)N(CCCl)N=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23ClN6O15/c30-13-14-33(32-41)29(40)31-25-24(51-28(39)18-5-11-21(12-6-18)36(46)47)23(50-27(38)17-3-9-20(10-4-17)35(44)45)22(15-48-25)49-26(37)16-1-7-19(8-2-16)34(42)43/h1-12,22-25H,13-15H2,(H,31,40)/t22-,23-,24-,25-/m1/s1