N-(2-cyano-3-methyl-butan-2-yl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-4-methyl-3-nitro-benzamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-4-methyl-3-nitro-benzamide Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)(C#N)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)(C#N)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-9(2)14(4,8-15)16-13(18)11-6-5-10(3)12(7-11)17(19)20/h5-7,9H,1-4H3,(H,16,18)