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

Systemtic Name: 3-[2-(2-chloranyl-5-cyano-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(2-chloro-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-chloro-5-cyanophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(2-chloro-5-cyanophenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(2-chloro-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C27H21ClN6O5 MolecularWeight: 544.94584

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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)Cl

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)Cl

InChI

InChI=1S/C27H21ClN6O5/c1-33(2)26(35)19-9-6-10-20(14-19)38-25-23(34(36)37)24(30-16-17-7-4-3-5-8-17)31-27(32-25)39-22-13-18(15-29)11-12-21(22)28/h3-14H,16H2,1-2H3,(H,30,31,32)