3-[2-(5-cyano-2-phenoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-(5-cyano-2-phenoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-phenoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(5-cyano-2-phenoxyphenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C33H26N6O6 MolecularWeight: 602.59614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5

InChI

InChI=1S/C33H26N6O6/c1-38(2)32(40)24-12-9-15-26(19-24)44-31-29(39(41)42)30(35-21-22-10-5-3-6-11-22)36-33(37-31)45-28-18-23(20-34)16-17-27(28)43-25-13-7-4-8-14-25/h3-19H,21H2,1-2H3,(H,35,36,37)