(E)-N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C21H12BrClN4O4 MolecularWeight: 499.70138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H12BrClN4O4/c22-14-8-13(10-24-11-14)21-26-17-9-15(3-5-19(17)31-21)25-20(28)6-2-12-1-4-16(23)18(7-12)27(29)30/h1-11H,(H,25,28)/b6-2+