N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CN2C=C(N=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CN2C=C(N=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-28-18-9-16(7-8-17(18)29-13-15-5-3-2-4-6-15)10-21-20(25)12-23-11-19(22-14-23)24(26)27/h2-9,11,14H,10,12-13H2,1H3,(H,21,25)