N-[azanyl-(oxidanylamino)methylidene]-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-[azanyl-(oxidanylamino)methylidene]-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-[amino-(hydroxyamino)methylene]-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-[amino-(hydroxyamino)methylidene]-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-[amino-(hydroxyamino)methylidene]-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-[amino-(hydroxyamino)methylene]-3-pyrrol-1-yl-benzamide mesylate Formula: C13H15N4O5S- MolecularWeight: 339.347

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CN(C=C1)C2=CC=CC(=C2)C(=O)N=C(N)NO

Isomeric SMILES

CS(=O)(=O)[O-].C1=CN(C=C1)C2=CC=CC(=C2)C(=O)N=C(N)NO

InChI

InChI=1S/C12H12N4O2.CH4O3S/c13-12(15-18)14-11(17)9-4-3-5-10(8-9)16-6-1-2-7-16;1-5(2,3)4/h1-8,18H,(H3,13,14,15,17);1H3,(H,2,3,4)/p-1