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

Systemtic Name: 3-[4-(5-cyano-2-phenylmethoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-2,6-dimethyl-benzamide Openeye Name: 3-[4-(benzylamino)-6-(2-benzyloxy-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-2,6-dimethyl-benzamide CAS Name: 3-[[4-(5-cyano-2-phenylmethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-2,6-dimethylbenzamide IUPAC Name: 3-[4-(benzylamino)-6-(5-cyano-2-phenylmethoxyphenoxy)-5-nitropyrimidin-2-yl]oxy-2,6-dimethylbenzamide Traditional Name: 3-[4-(2-benzoxy-5-cyano-phenoxy)-6-(benzylamino)-5-nitro-pyrimidin-2-yl]oxy-2,6-dimethyl-benzamide Formula: C34H28N6O6 MolecularWeight: 616.62272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)C)C(=O)N

InChI

InChI=1S/C34H28N6O6/c1-21-13-15-26(22(2)29(21)31(36)41)46-34-38-32(37-19-23-9-5-3-6-10-23)30(40(42)43)33(39-34)45-28-17-25(18-35)14-16-27(28)44-20-24-11-7-4-8-12-24/h3-17H,19-20H2,1-2H3,(H2,36,41)(H,37,38,39)