2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-nitro-phenolate

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-nitro-phenolate Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-nitro-phenolate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-4-nitrophenolate IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-nitrophenolate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-4-nitro-phenolate Formula: C14H9N2O4S- MolecularWeight: 301.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H10N2O4S/c17-12-6-5-10(16(18)19)7-9(12)8-21-14-15-11-3-1-2-4-13(11)20-14/h1-7,17H,8H2/p-1