4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzene-1,3-dicarbonitrile

Systemtic Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzene-1,3-dicarbonitrile Openeye Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzene-1,3-dicarbonitrile CAS Name: 4-[(1-methyl-5-nitro-2-imidazolyl)methoxy]benzene-1,3-dicarbonitrile IUPAC Name: 4-[(1-methyl-5-nitroimidazol-2-yl)methoxy]benzene-1,3-dicarbonitrile Traditional Name: 4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]isophthalonitrile Formula: C13H9N5O3 MolecularWeight: 283.24226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC2=C(C=C(C=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC2=C(C=C(C=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O3/c1-17-12(16-7-13(17)18(19)20)8-21-11-3-2-9(5-14)4-10(11)6-15/h2-4,7H,8H2,1H3