4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(5-esyl-1,3-benzoxazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C18H15N2O7S- MolecularWeight: 403.3859

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7S/c1-3-28(24,25)12-5-6-15-13(10-12)19-17(27-15)7-4-11-8-14(20(22)23)18(21)16(9-11)26-2/h4-10,21H,3H2,1-2H3/p-1/b7-4+