methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yl-oxiran-2-yl]benzoate nitrate

Systemtic Name: methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yl-oxiran-2-yl]benzoate nitrate Openeye Name: methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yl-oxiran-2-yl]benzoate nitrate CAS Name: 4-[2-(4-chlorophenyl)-3-(1-imidazolyl)-2-oxiranyl]benzoic acid methyl ester nitrate IUPAC Name: methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoate nitrate Traditional Name: 4-[2-(4-chlorophenyl)-3-imidazol-1-yl-oxiran-2-yl]benzoic acid methyl ester nitrate Formula: C19H15ClN3O6- MolecularWeight: 416.7919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H15ClN2O3.NO3/c1-24-17(23)13-2-4-14(5-3-13)19(15-6-8-16(20)9-7-15)18(25-19)22-11-10-21-12-22;2-1(3)4/h2-12,18H,1H3;/q;-1