(2R)-2-[(2,4-dinitrophenyl)amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: (2R)-2-[(2,4-dinitrophenyl)amino]-4-methylsulfonyl-butanoic acid Openeye Name: (2R)-2-(2,4-dinitroanilino)-4-methylsulfonyl-butanoic acid CAS Name: (2R)-2-(2,4-dinitroanilino)-4-methylsulfonylbutanoic acid IUPAC Name: (2R)-2-(2,4-dinitroanilino)-4-methylsulfonylbutanoic acid Traditional Name: (2R)-2-(2,4-dinitroanilino)-4-mesyl-butyric acid Formula: C11H13N3O8S MolecularWeight: 347.30122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O8S/c1-23(21,22)5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)/t9-/m1/s1