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

Systemtic Name: N-[2-(3-bromanyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[2-(3-bromo-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitro-benzamide CAS Name: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[2-(3-bromo-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitro-benzamide Formula: C21H13BrClN3O4 MolecularWeight: 486.70262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Br

InChI

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