[5-nitro-2-[(4-nitrophenyl)amino]pyrimidin-4-yl] thiocyanate

Systemtic Name: [5-nitro-2-[(4-nitrophenyl)amino]pyrimidin-4-yl] thiocyanate Openeye Name: [5-nitro-2-(4-nitroanilino)pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [5-nitro-2-(4-nitroanilino)-4-pyrimidinyl] ester IUPAC Name: [5-nitro-2-(4-nitroanilino)pyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-nitro-2-(4-nitroanilino)pyrimidin-4-yl] ester Formula: C11H6N6O4S MolecularWeight: 318.26814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H6N6O4S/c12-6-22-10-9(17(20)21)5-13-11(15-10)14-7-1-3-8(4-2-7)16(18)19/h1-5H,(H,13,14,15)