methyl 4-[[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-(1-methyl-5-nitro-2-imidazolyl)ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-23-19(22-13-20(23)24(26)27)12-7-15-5-10-18(11-6-15)29-14-16-3-8-17(9-4-16)21(25)28-2/h3-13H,14H2,1-2H3/b12-7+