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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H25N3O5/c1-28-19-11-10-18(24(26)27)14-20(19)29-15-21(25)22-16-6-8-17(9-7-16)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,25)