2-(2,4-dinitrophenyl)-3-imidazol-1-yl-2-oxidanyl-propanenitrile

Systemtic Name: 2-(2,4-dinitrophenyl)-3-imidazol-1-yl-2-oxidanyl-propanenitrile Openeye Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-imidazol-1-yl-propanenitrile CAS Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-(1-imidazolyl)propanenitrile IUPAC Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-imidazol-1-ylpropanenitrile Traditional Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-imidazol-1-yl-propionitrile Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(CN2C=CN=C2)(C#N)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(CN2C=CN=C2)(C#N)O

InChI

InChI=1S/C12H9N5O5/c13-6-12(18,7-15-4-3-14-8-15)10-2-1-9(16(19)20)5-11(10)17(21)22/h1-5,8,18H,7H2