N-(2-cyano-3-methyl-butan-2-yl)-2-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]amino]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[2-(2-hydroxyethylamino)-5-nitro-anilino]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[2-(2-hydroxyethylamino)-5-nitro-anilino]acetamide Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CNC1=C(C=CC(=C1)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CNC1=C(C=CC(=C1)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H23N5O4/c1-11(2)16(3,10-17)20-15(23)9-19-14-8-12(21(24)25)4-5-13(14)18-6-7-22/h4-5,8,11,18-19,22H,6-7,9H2,1-3H3,(H,20,23)