N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)ethanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)acetamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)acetamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dinitrophenoxy)acetamide Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6S/c26-20(12-31-18-10-9-15(24(27)28)11-17(18)25(29)30)22-14-7-5-13(6-8-14)21-23-16-3-1-2-4-19(16)32-21/h1-11H,12H2,(H,22,26)