2-[(2,6-dimethyl-3-nitro-phenyl)-methoxy-amino]ethanoic acid; propanethioic S-acid

Systemtic Name: 2-[(2,6-dimethyl-3-nitro-phenyl)-methoxy-amino]ethanoic acid; propanethioic S-acid Openeye Name: 2-(N-methoxy-2,6-dimethyl-3-nitro-anilino)acetic acid; propanethioic S-acid CAS Name: 2-(N-methoxy-2,6-dimethyl-3-nitroanilino)acetic acid; propanethioic S-acid IUPAC Name: 2-(N-methoxy-2,6-dimethyl-3-nitroanilino)acetic acid; propanethioic S-acid Traditional Name: 2-(N-methoxy-2,6-dimethyl-3-nitro-anilino)acetic acid; thiopropionic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)S.CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N(CC(=O)O)OC

Isomeric SMILES

CCC(=O)S.CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N(CC(=O)O)OC

InChI

InChI=1S/C11H14N2O5.C3H6OS/c1-7-4-5-9(13(16)17)8(2)11(7)12(18-3)6-10(14)15;1-2-3(4)5/h4-5H,6H2,1-3H3,(H,14,15);2H2,1H3,(H,4,5)