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

Systemtic Name: 4-nitro-2-[(E)-2-(2-phenyl-1,3-benzoxazol-5-yl)ethenyl]phenolate Openeye Name: 4-nitro-2-[(E)-2-(2-phenyl-1,3-benzoxazol-5-yl)vinyl]phenolate CAS Name: 4-nitro-2-[(E)-2-(2-phenyl-1,3-benzoxazol-5-yl)ethenyl]phenolate IUPAC Name: 4-nitro-2-[(E)-2-(2-phenyl-1,3-benzoxazol-5-yl)ethenyl]phenolate Traditional Name: 4-nitro-2-[(E)-2-(2-phenyl-1,3-benzoxazol-5-yl)vinyl]phenolate Formula: C21H13N2O4- MolecularWeight: 357.33892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)/C=C/C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H14N2O4/c24-19-10-9-17(23(25)26)13-16(19)8-6-14-7-11-20-18(12-14)22-21(27-20)15-4-2-1-3-5-15/h1-13,24H/p-1/b8-6+