[3,4-diacetyloxy-5-[5-aminocarbonyl-3-(iodanylmethyl)pyrazol-1-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[5-aminocarbonyl-3-(iodanylmethyl)pyrazol-1-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[5-carbamoyl-3-(iodomethyl)pyrazol-1-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[5-carbamoyl-3-(iodomethyl)-1-pyrazolyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[5-carbamoyl-3-(iodomethyl)pyrazol-1-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[5-carbamoyl-3-(iodomethyl)pyrazol-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C16H20IN3O8 MolecularWeight: 509.24977

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C(=CC(=N2)CI)C(=O)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C(=CC(=N2)CI)C(=O)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H20IN3O8/c1-7(21)25-6-12-13(26-8(2)22)14(27-9(3)23)16(28-12)20-11(15(18)24)4-10(5-17)19-20/h4,12-14,16H,5-6H2,1-3H3,(H2,18,24)