[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 3-nitrobenzenesulfonate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 3-nitrobenzenesulfonate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)ON=C(C2=CC=NC=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O/N=C(/C2=CC=NC=C2)\N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c13-12(9-4-6-14-7-5-9)15-21-22(19,20)11-3-1-2-10(8-11)16(17)18/h1-8H,(H2,13,15)