N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(4-nitrophenyl)phenyl]valeramide Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C20H21N3O3/c1-14(2)12-19(20(24)22-11-10-21)17-5-3-4-16(13-17)15-6-8-18(9-7-15)23(25)26/h3-9,13-14,19H,11-12H2,1-2H3,(H,22,24)