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

Systemtic Name: 2-bromanyl-N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide Formula: C22H17BrN4O4 MolecularWeight: 481.29878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN4O4/c1-26(2)15-6-3-13(4-7-15)22-25-19-11-14(5-10-20(19)31-22)24-21(28)17-12-16(27(29)30)8-9-18(17)23/h3-12H,1-2H3,(H,24,28)