[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 2-nitrobenzenesulfonate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 2-nitrobenzenesulfonate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C12H10N4O5S MolecularWeight: 322.2966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=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)11-4-2-1-3-10(11)16(17)18/h1-8H,(H2,13,15)