N-methyl-4-nitro-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide

Systemtic Name: N-methyl-4-nitro-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide Openeye Name: N-[(E)-(6-benzyloxy-7H-purin-2-yl)azo]-N-methyl-4-nitro-benzamide CAS Name: N-methyl-4-nitro-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)azo]benzamide IUPAC Name: N-methyl-4-nitro-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]benzamide Traditional Name: N-[(E)-(6-benzoxy-7H-purin-2-yl)azo]-N-methyl-4-nitro-benzamide Formula: C20H16N8O4 MolecularWeight: 432.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])/N=N/C2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H16N8O4/c1-27(19(29)14-7-9-15(10-8-14)28(30)31)26-25-20-23-17-16(21-12-22-17)18(24-20)32-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+