3-[2-[2-[(2-nitro-4-oxidanyl-phenyl)amino]ethyl]pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[2-[2-[(2-nitro-4-oxidanyl-phenyl)amino]ethyl]pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[2-[2-(4-hydroxy-2-nitro-anilino)ethyl]pyrrolidin-2-yl]propanoic acid CAS Name: 3-[2-[2-(4-hydroxy-2-nitroanilino)ethyl]-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[2-[2-(4-hydroxy-2-nitroanilino)ethyl]pyrrolidin-2-yl]propanoic acid Traditional Name: 3-[2-[2-(4-hydroxy-2-nitro-anilino)ethyl]pyrrolidin-2-yl]propionic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)(CCC(=O)O)CCNC2=C(C=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)(CCC(=O)O)CCNC2=C(C=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c19-11-2-3-12(13(10-11)18(22)23)16-9-7-15(5-1-8-17-15)6-4-14(20)21/h2-3,10,16-17,19H,1,4-9H2,(H,20,21)