N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitro-benzamide Formula: C21H13BrClN3O5 MolecularWeight: 502.70202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C21H13BrClN3O5/c1-30-18-6-3-12(8-14(18)22)21-25-16-10-13(4-7-19(16)31-21)24-20(27)11-2-5-15(23)17(9-11)26(28)29/h2-10H,1H3,(H,24,27)