2-azanyl-3-[2-[(2,4-dinitrophenyl)amino]ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(2,4-dinitrophenyl)amino]ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(2,4-dinitroanilino)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(2,4-dinitroanilino)ethylthio]propionic acid Formula: C11H14N4O6S MolecularWeight: 330.31706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O6S/c12-8(11(16)17)6-22-4-3-13-9-2-1-7(14(18)19)5-10(9)15(20)21/h1-2,5,8,13H,3-4,6,12H2,(H,16,17)