2-[(2,4-dinitrophenyl)sulfanyl-[(4-nitrophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[(2,4-dinitrophenyl)thio]-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[[(2,4-dinitrophenyl)thio]-(4-nitrobenzyl)amino]acetic acid Formula: C15H12N4O8S MolecularWeight: 408.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CC(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O8S/c20-15(21)9-16(8-10-1-3-11(4-2-10)17(22)23)28-14-6-5-12(18(24)25)7-13(14)19(26)27/h1-7H,8-9H2,(H,20,21)