4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-(5-esyl-1,3-benzoxazol-2-yl)vinyl]-2-nitro-phenolate Formula: C17H13N2O6S- MolecularWeight: 373.35992

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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)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6S/c1-2-26(23,24)12-5-7-16-13(10-12)18-17(25-16)8-4-11-3-6-15(20)14(9-11)19(21)22/h3-10,20H,2H2,1H3/p-1/b8-4+