5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole

Systemtic Name: 5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Openeye Name: 5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole CAS Name: 5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole IUPAC Name: 5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole Traditional Name: 5-(4-esylphenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c1-3-31(27,28)17-8-4-14(5-9-17)15-6-10-20-18(12-15)23-22(30-20)16-7-11-21(29-2)19(13-16)24(25)26/h4-13H,3H2,1-2H3