3-[3-[(4-nitrophenyl)methoxy]-2,3-bis(oxidanylidene)propyl]-2-sulfanylidene-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[3-[(4-nitrophenyl)methoxy]-2,3-bis(oxidanylidene)propyl]-2-sulfanylidene-pyrrolidine-1-carboxylic acid Openeye Name: 3-[3-[(4-nitrophenyl)methoxy]-2,3-dioxo-propyl]-2-thioxo-pyrrolidine-1-carboxylic acid CAS Name: 3-[3-[(4-nitrophenyl)methoxy]-2,3-dioxopropyl]-2-sulfanylidene-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-[(4-nitrophenyl)methoxy]-2,3-dioxopropyl]-2-sulfanylidenepyrrolidine-1-carboxylic acid Traditional Name: 3-[2,3-diketo-3-(4-nitrobenzyl)oxy-propyl]-2-thioxo-pyrrolidine-1-carboxylic acid Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)C1CC(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(C(=S)C1CC(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N2O7S/c18-12(7-10-5-6-16(13(10)25)15(20)21)14(19)24-8-9-1-3-11(4-2-9)17(22)23/h1-4,10H,5-8H2,(H,20,21)