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

Systemtic Name: 3-[2-(5-cyano-2-nitro-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(5-cyano-2-nitro-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-nitrophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(5-cyano-2-nitrophenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(5-cyano-2-nitro-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C27H21N7O7 MolecularWeight: 555.49834

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C27H21N7O7/c1-32(2)26(35)19-9-6-10-20(14-19)40-25-23(34(38)39)24(29-16-17-7-4-3-5-8-17)30-27(31-25)41-22-13-18(15-28)11-12-21(22)33(36)37/h3-14H,16H2,1-2H3,(H,29,30,31)