N-(2-cyanoethyl)-1-methyl-4-nitro-imidazole-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-1-methyl-4-nitro-imidazole-2-carboxamide Openeye Name: N-(2-cyanoethyl)-1-methyl-4-nitro-imidazole-2-carboxamide CAS Name: N-(2-cyanoethyl)-1-methyl-4-nitro-2-imidazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-methyl-4-nitroimidazole-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-methyl-4-nitro-imidazole-2-carboxamide Formula: C8H9N5O3 MolecularWeight: 223.18876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C(=O)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H9N5O3/c1-12-5-6(13(15)16)11-7(12)8(14)10-4-2-3-9/h5H,2,4H2,1H3,(H,10,14)