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

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C21H15BrN4O5 MolecularWeight: 483.2716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O5/c1-2-30-19-5-3-12(8-17(19)26(28)29)20(27)24-15-4-6-18-16(9-15)25-21(31-18)13-7-14(22)11-23-10-13/h3-11H,2H2,1H3,(H,24,27)