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

Systemtic Name: N-[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Formula: C21H12BrClN4O6 MolecularWeight: 531.70018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrClN4O6/c1-10-17(26(29)30)6-11(7-18(10)27(31)32)20(28)24-13-3-5-19-16(9-13)25-21(33-19)14-8-12(22)2-4-15(14)23/h2-9H,1H3,(H,24,28)