N-[4-(azepan-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(5-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(5-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(5-methyl-2-nitro-phenoxy)acetamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4/c1-16-6-11-19(24(26)27)20(14-16)28-15-21(25)22-17-7-9-18(10-8-17)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,25)