[5-(3-iodanyl-5-nitro-indol-1-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-(3-iodanyl-5-nitro-indol-1-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(3-iodo-5-nitro-indol-1-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(3-iodo-5-nitro-1-indolyl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(3-iodo-5-nitroindol-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(3-iodo-5-nitro-indol-1-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C29H25IN2O7 MolecularWeight: 640.42247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C4=C3C=CC(=C4)[N+](=O)[O-])I)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C4=C3C=CC(=C4)[N+](=O)[O-])I)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H25IN2O7/c1-17-3-7-19(8-4-17)28(33)37-16-26-25(39-29(34)20-9-5-18(2)6-10-20)14-27(38-26)31-15-23(30)22-13-21(32(35)36)11-12-24(22)31/h3-13,15,25-27H,14,16H2,1-2H3