N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C20H13BrN4O4 MolecularWeight: 453.24562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H13BrN4O4/c1-11-15(3-2-4-17(11)25(27)28)19(26)23-14-5-6-18-16(8-14)24-20(29-18)12-7-13(21)10-22-9-12/h2-10H,1H3,(H,23,26)