2-[3-[(3-nitrophenyl)methyl]-4,5-bis(oxidanylidene)-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-nitrophenyl)methyl]-4,5-bis(oxidanylidene)-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-nitrophenyl)methyl]-4,5-dioxo-2-thioxo-imidazolidin-1-yl]acetic acid CAS Name: 2-[3-[(3-nitrophenyl)methyl]-4,5-dioxo-2-sulfanylidene-1-imidazolidinyl]acetic acid IUPAC Name: 2-[3-[(3-nitrophenyl)methyl]-4,5-dioxo-2-sulfanylideneimidazolidin-1-yl]acetic acid Traditional Name: 2-[4,5-diketo-3-(3-nitrobenzyl)-2-thioxo-imidazolidin-1-yl]acetic acid Formula: C12H9N3O6S MolecularWeight: 323.28136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=O)C(=O)N(C2=S)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C(=O)C(=O)N(C2=S)CC(=O)O

InChI

InChI=1S/C12H9N3O6S/c16-9(17)6-14-11(19)10(18)13(12(14)22)5-7-2-1-3-8(4-7)15(20)21/h1-4H,5-6H2,(H,16,17)