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

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(2,4-dinitrophenyl)amino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-(2,4-dinitroanilino)propanoic acid CAS Name: 3-(carboxymethylthio)-2-(2,4-dinitroanilino)propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-(2,4-dinitroanilino)propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(2,4-dinitroanilino)propionic acid Formula: C11H11N3O8S MolecularWeight: 345.28534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O8S/c15-10(16)5-23-4-8(11(17)18)12-7-2-1-6(13(19)20)3-9(7)14(21)22/h1-3,8,12H,4-5H2,(H,15,16)(H,17,18)