2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoic acid Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)acetic acid CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)acetic acid IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)acetic acid Traditional Name: 2-(N-mesyl-3-nitro-anilino)acetic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S/c1-18(16,17)10(6-9(12)13)7-3-2-4-8(5-7)11(14)15/h2-5H,6H2,1H3,(H,12,13)