2-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C16H11N4O5S- MolecularWeight: 371.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O5S/c21-13-6-5-11(20(23)24)7-10(13)8-17-19-15(22)9-26-16-18-12-3-1-2-4-14(12)25-16/h1-8,21H,9H2,(H,19,22)/p-1/b17-8+