4-[4-(hydroxymethyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(hydroxymethyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]benzenecarbonitrile Openeye Name: 4-[4-(hydroxymethyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]benzonitrile CAS Name: 4-[4-(hydroxymethyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]benzonitrile IUPAC Name: 4-[4-(hydroxymethyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]benzonitrile Traditional Name: 4-[2-(imidazol-1-ylmethyl)-4-methylol-1,3-dioxolan-4-yl]benzonitrile Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)CN2C=CN=C2)(CO)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(OC(O1)CN2C=CN=C2)(CO)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H15N3O3/c16-7-12-1-3-13(4-2-12)15(9-19)10-20-14(21-15)8-18-6-5-17-11-18/h1-6,11,14,19H,8-10H2