(2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoic acid

Systemtic Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoic acid Openeye Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoic acid CAS Name: (2S)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanoic acid IUPAC Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanoic acid Traditional Name: (2S)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionic acid Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S/c1-9(13(16)17)22-12-5-4-10(8-11(12)15(18)19)23(20,21)14-6-2-3-7-14/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)/t9-/m0/s1