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

Systemtic Name: [(E)-[azanyl(pyridin-4-yl)methylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(E)-[amino(4-pyridyl)methylene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(E)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(E)-[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[N+](=O)[O-])S(=O)(=O)ON=C(C2=CC=NC=C2)N

Isomeric SMILES

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

InChI

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