[2-(imidazol-1-ylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

Systemtic Name: [2-(imidazol-1-ylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Openeye Name: [2-(imidazol-1-ylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(1-imidazolylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(imidazol-1-ylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(imidazol-1-ylmethyl)-2-(4-nitrophenyl)-1,3-dioxolan-4-yl]methyl ester Formula: C15H17N3O7S MolecularWeight: 383.37638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O7S/c1-26(21,22)24-9-14-8-23-15(25-14,10-17-7-6-16-11-17)12-2-4-13(5-3-12)18(19)20/h2-7,11,14H,8-10H2,1H3