2-[(3-ethylsulfonyl-2-oxidanylidene-imidazolidin-4-yl)carbonylamino]-2-(4-nitrophenyl)ethanoic acid

Systemtic Name: 2-[(3-ethylsulfonyl-2-oxidanylidene-imidazolidin-4-yl)carbonylamino]-2-(4-nitrophenyl)ethanoic acid Openeye Name: 2-[(3-ethylsulfonyl-2-oxo-imidazolidine-4-carbonyl)amino]-2-(4-nitrophenyl)acetic acid CAS Name: 2-[[(3-ethylsulfonyl-2-oxo-4-imidazolidinyl)-oxomethyl]amino]-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-[(3-ethylsulfonyl-2-oxoimidazolidine-4-carbonyl)amino]-2-(4-nitrophenyl)acetic acid Traditional Name: 2-[(3-esyl-2-keto-imidazolidine-4-carbonyl)amino]-2-(4-nitrophenyl)acetic acid Formula: C14H16N4O8S MolecularWeight: 400.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CNC1=O)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1C(CNC1=O)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H16N4O8S/c1-2-27(25,26)17-10(7-15-14(17)22)12(19)16-11(13(20)21)8-3-5-9(6-4-8)18(23)24/h3-6,10-11H,2,7H2,1H3,(H,15,22)(H,16,19)(H,20,21)