N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitro-benzamide Formula: C20H13BrN4O4 MolecularWeight: 453.24562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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