N-[4-(5-fluoranyl-6-phenoxy-pyrimidin-4-yl)oxyphenyl]-3-nitro-2-phenylmethoxy-benzamide

Systemtic Name: N-[4-(5-fluoranyl-6-phenoxy-pyrimidin-4-yl)oxyphenyl]-3-nitro-2-phenylmethoxy-benzamide Openeye Name: 2-benzyloxy-N-[4-(5-fluoro-6-phenoxy-pyrimidin-4-yl)oxyphenyl]-3-nitro-benzamide CAS Name: N-[4-[(5-fluoro-6-phenoxy-4-pyrimidinyl)oxy]phenyl]-3-nitro-2-phenylmethoxybenzamide IUPAC Name: N-[4-(5-fluoro-6-phenoxypyrimidin-4-yl)oxyphenyl]-3-nitro-2-phenylmethoxybenzamide Traditional Name: 2-benzoxy-N-[4-(5-fluoro-6-phenoxy-pyrimidin-4-yl)oxyphenyl]-3-nitro-benzamide Formula: C30H21FN4O6 MolecularWeight: 552.509343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4F)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4F)OC5=CC=CC=C5

InChI

InChI=1S/C30H21FN4O6/c31-26-29(40-22-10-5-2-6-11-22)32-19-33-30(26)41-23-16-14-21(15-17-23)34-28(36)24-12-7-13-25(35(37)38)27(24)39-18-20-8-3-1-4-9-20/h1-17,19H,18H2,(H,34,36)