N-(cyanomethyl)-2-[3-(2-methoxy-5-nitro-phenyl)phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(2-methoxy-5-nitro-phenyl)phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-(2-methoxy-5-nitro-phenyl)phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-(2-methoxy-5-nitrophenyl)phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-(2-methoxy-5-nitrophenyl)phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-(2-methoxy-5-nitro-phenyl)phenyl]-4-methyl-valeramide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-14(2)11-19(21(25)23-10-9-22)16-6-4-5-15(12-16)18-13-17(24(26)27)7-8-20(18)28-3/h4-8,12-14,19H,10-11H2,1-3H3,(H,23,25)