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

Systemtic Name: (4-nitrophenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Openeye Name: (4-nitrophenyl) N-[(E)-(6-benzyloxy-7H-purin-2-yl)azo]-N-methyl-carbamate CAS Name: N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)azo]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Traditional Name: N-[(E)-(6-benzoxy-7H-purin-2-yl)azo]-N-methyl-carbamic acid (4-nitrophenyl) ester Formula: C20H16N8O5 MolecularWeight: 448.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])/N=N/C2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H16N8O5/c1-27(20(29)33-15-9-7-14(8-10-15)28(30)31)26-25-19-23-17-16(21-12-22-17)18(24-19)32-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22,23,24)/b26-25+