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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(3-nitrophenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(3-nitrophenyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(3-nitrophenyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(3-nitrophenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(3-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(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

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

InChI

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