3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoate

Systemtic Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoate Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoate CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanoate IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanoate Traditional Name: 3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionate Formula: C13H15N2O7S- MolecularWeight: 343.3324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S/c16-13(17)5-8-22-12-4-3-10(9-11(12)15(18)19)23(20,21)14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,16,17)/p-1