[2,4,6-tris(azanyl)pyrimidin-5-yl] 4-nitrobenzoate

Systemtic Name: [2,4,6-tris(azanyl)pyrimidin-5-yl] 4-nitrobenzoate Openeye Name: (2,4,6-triaminopyrimidin-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,4,6-triamino-5-pyrimidinyl) ester IUPAC Name: (2,4,6-triaminopyrimidin-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,4,6-triaminopyrimidin-5-yl) ester Formula: C11H10N6O4 MolecularWeight: 290.2349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N6O4/c12-8-7(9(13)16-11(14)15-8)21-10(18)5-1-3-6(4-2-5)17(19)20/h1-4H,(H6,12,13,14,15,16)