[5-(6-benzamidopurin-9-yl)-3-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-nitrobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(6-benzamido-9-purinyl)-4-hydroxy-3-[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-nitrobenzoyl)oxyoxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-nitrobenzoyl)oxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H23N7O11 MolecularWeight: 669.55462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])O

InChI

InChI=1S/C31H23N7O11/c39-24-25(49-31(42)19-8-12-21(13-9-19)38(45)46)22(14-47-30(41)18-6-10-20(11-7-18)37(43)44)48-29(24)36-16-34-23-26(32-15-33-27(23)36)35-28(40)17-4-2-1-3-5-17/h1-13,15-16,22,24-25,29,39H,14H2,(H,32,33,35,40)