2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-5-esyl-1,3-benzoxazole Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O5S/c1-2-26(23,24)12-5-7-16-14(10-12)19-17(25-16)8-4-11-3-6-13(18)15(9-11)20(21)22/h3-10H,2H2,1H3/b8-4+