3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide

Systemtic Name: 3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide Openeye Name: 3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide CAS Name: 3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide IUPAC Name: 3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide Traditional Name: 3,5-dinitro-N-[(E)-1-[4-[(2-nitrophenyl)sulfonylamino]phenyl]ethylideneamino]benzamide Formula: C21H16N6O9S MolecularWeight: 528.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O9S/c1-13(22-23-21(28)15-10-17(25(29)30)12-18(11-15)26(31)32)14-6-8-16(9-7-14)24-37(35,36)20-5-3-2-4-19(20)27(33)34/h2-12,24H,1H3,(H,23,28)/b22-13+