2-bromanyl-N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzamide Formula: C21H13BrClN3O4 MolecularWeight: 486.70262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H13BrClN3O4/c1-11-2-7-17-19(8-11)30-21(25-17)12-3-6-16(23)18(9-12)24-20(27)14-10-13(26(28)29)4-5-15(14)22/h2-10H,1H3,(H,24,27)