3-[2,4-bis(azanyl)-6-chloranyl-3-nitro-phenyl]propane-1,2-diol

Systemtic Name: 3-[2,4-bis(azanyl)-6-chloranyl-3-nitro-phenyl]propane-1,2-diol Openeye Name: 3-(2,4-diamino-6-chloro-3-nitro-phenyl)propane-1,2-diol CAS Name: 3-(2,4-diamino-6-chloro-3-nitrophenyl)propane-1,2-diol IUPAC Name: 3-(2,4-diamino-6-chloro-3-nitrophenyl)propane-1,2-diol Traditional Name: 3-(2,4-diamino-6-chloro-3-nitro-phenyl)propane-1,2-diol Formula: C9H12ClN3O4 MolecularWeight: 261.66228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)CC(CO)O)N)[N+](=O)[O-])N

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)CC(CO)O)N)[N+](=O)[O-])N

InChI

InChI=1S/C9H12ClN3O4/c10-6-2-7(11)9(13(16)17)8(12)5(6)1-4(15)3-14/h2,4,14-15H,1,3,11-12H2