N-[2-[4-cyano-3-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-cyano-3-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[2-[4-cyano-3-(2H-tetrazol-5-yl)phenoxy]phenyl]-3-nitro-benzamide CAS Name: N-[2-[4-cyano-3-(2H-tetrazol-5-yl)phenoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-cyano-3-(2H-tetrazol-5-yl)phenoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[2-[4-cyano-3-(2H-tetrazol-5-yl)phenoxy]phenyl]-3-nitro-benzamide Formula: C21H13N7O4 MolecularWeight: 427.37242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C#N)C4=NNN=N4

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C#N)C4=NNN=N4

InChI

InChI=1S/C21H13N7O4/c22-12-14-8-9-16(11-17(14)20-24-26-27-25-20)32-19-7-2-1-6-18(19)23-21(29)13-4-3-5-15(10-13)28(30)31/h1-11H,(H,23,29)(H,24,25,26,27)