1-[[2-(4-nitrophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole

Systemtic Name: 1-[[2-(4-nitrophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole Openeye Name: 1-[[2-(4-nitrophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole CAS Name: 1-[[2-(4-nitrophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole IUPAC Name: 1-[[2-(4-nitrophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole Traditional Name: 1-[[2-(4-nitrophenyl)-4-(propargyloxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCOCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-2-9-23-10-16-11-24-17(25-16,12-19-8-7-18-13-19)14-3-5-15(6-4-14)20(21)22/h1,3-8,13,16H,9-12H2