2-[[2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate

Systemtic Name: 2-[[2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate Openeye Name: 2-[[2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate CAS Name: 2-[[2-(1-imidazolylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate IUPAC Name: 2-[[2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate Traditional Name: 2-[[2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolan-4-yl]methyl]benzoate nitrate Formula: C27H23N3O7-2 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5C(=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C1C(OC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5C(=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C27H24N2O4.NO3/c30-26(31)25-9-5-4-8-22(25)16-24-17-32-27(33-24,18-29-15-14-28-19-29)23-12-10-21(11-13-23)20-6-2-1-3-7-20;2-1(3)4/h1-15,19,24H,16-18H2,(H,30,31);/q;-1/p-1