N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(2,4-dinitrophenoxy)ethanamide

Systemtic Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(2,4-dinitrophenoxy)ethanamide Openeye Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(2,4-dinitrophenoxy)acetamide CAS Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dinitrophenoxy)acetamide IUPAC Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dinitrophenoxy)acetamide Traditional Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(2,4-dinitrophenoxy)acetamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-13-6-7-14(22-24-16-4-2-3-5-19(16)33-22)10-17(13)23-21(27)12-32-20-9-8-15(25(28)29)11-18(20)26(30)31/h2-11H,12H2,1H3,(H,23,27)