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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-3-nitro-benzamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-3-nitro-benzamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-3-nitrobenzamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-3-nitrobenzamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-3-nitro-benzamide Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-9(2)13(3,8-14)15-12(17)10-5-4-6-11(7-10)16(18)19/h4-7,9H,1-3H3,(H,15,17)