2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-4-nitro-phenolate Formula: C15H10N3O5S- MolecularWeight: 344.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H11N3O5S/c19-12-6-5-9(18(21)22)7-11(12)16-14(20)8-24-15-17-10-3-1-2-4-13(10)23-15/h1-7,19H,8H2,(H,16,20)/p-1