(E)-N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)acrylamide Formula: C21H13BrN4O4 MolecularWeight: 465.25632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN4O4/c22-15-9-14(11-23-12-15)21-25-18-10-16(5-6-19(18)30-21)24-20(27)7-4-13-2-1-3-17(8-13)26(28)29/h1-12H,(H,24,27)/b7-4+