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

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(2-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(2-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[[(2,4-dinitrophenyl)thio]-[(2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(2,4-dinitrophenyl)sulfanyl-[(2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[[(2,4-dinitrophenyl)thio]-(2-nitrobenzyl)amino]propionic acid Formula: C16H14N4O8S MolecularWeight: 422.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O8S/c1-10(16(21)22)17(9-11-4-2-3-5-13(11)19(25)26)29-15-7-6-12(18(23)24)8-14(15)20(27)28/h2-8,10H,9H2,1H3,(H,21,22)