N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzamide

Systemtic Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzamide Openeye Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzamide CAS Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzamide IUPAC Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitrobenzamide Traditional Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-nitro-benzamide Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-5-6-11-18-16(20)15-8-7-14(19(21)22)12-13(15)9-10-17(2,3)4/h7-8,12H,5-6,11H2,1-4H3,(H,18,20)