2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetic acid CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetic acid IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetic acid Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)acetic acid Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C10H12N2O7S/c1-19-9-4-3-7(12(15)16)5-8(9)11(6-10(13)14)20(2,17)18/h3-5H,6H2,1-2H3,(H,13,14)