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

Systemtic Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-bromanyl-5-nitro-benzamide Openeye Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide CAS Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-bromo-5-nitrobenzamide Traditional Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H14BrN3O4/c1-12-6-7-13(21-24-17-4-2-3-5-19(17)29-21)10-18(12)23-20(26)15-11-14(25(27)28)8-9-16(15)22/h2-11H,1H3,(H,23,26)