2-[5-chloranyl-6-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]oxy-1-benzofuran-3-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-6-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]oxy-1-benzofuran-3-yl]ethanenitrile Openeye Name: 2-[5-chloro-6-[2-(4-nitroanilino)pyrimidin-4-yl]oxy-benzofuran-3-yl]acetonitrile CAS Name: 2-[5-chloro-6-[[2-(4-nitroanilino)-4-pyrimidinyl]oxy]-3-benzofuranyl]acetonitrile IUPAC Name: 2-[5-chloro-6-[2-(4-nitroanilino)pyrimidin-4-yl]oxy-1-benzofuran-3-yl]acetonitrile Traditional Name: 2-[5-chloro-6-[2-(4-nitroanilino)pyrimidin-4-yl]oxy-benzofuran-3-yl]acetonitrile Formula: C20H12ClN5O4 MolecularWeight: 421.79338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=CC(=N2)OC3=C(C=C4C(=C3)OC=C4CC#N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=CC(=N2)OC3=C(C=C4C(=C3)OC=C4CC#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN5O4/c21-16-9-15-12(5-7-22)11-29-17(15)10-18(16)30-19-6-8-23-20(25-19)24-13-1-3-14(4-2-13)26(27)28/h1-4,6,8-11H,5H2,(H,23,24,25)