5-(4-chloranyl-3-nitro-phenyl)azanidylsulfonylbenzene-1,3-dicarboxylate

Systemtic Name: 5-(4-chloranyl-3-nitro-phenyl)azanidylsulfonylbenzene-1,3-dicarboxylate Openeye Name: 5-(4-chloro-3-nitro-phenyl)azanidylsulfonylbenzene-1,3-dicarboxylate CAS Name: 5-(4-chloro-3-nitrophenyl)azanidylsulfonylbenzene-1,3-dicarboxylate IUPAC Name: 5-(4-chloro-3-nitrophenyl)azanidylsulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-(4-chloro-3-nitro-phenyl)azanidylsulfonylisophthalate Formula: C14H6ClN2O8S-3 MolecularWeight: 397.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8ClN2O8S/c15-11-2-1-9(6-12(11)17(22)23)16-26(24,25)10-4-7(13(18)19)3-8(5-10)14(20)21/h1-6H,(H,18,19)(H,20,21)/q-1/p-2