2-[[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[4-(4-nitrophenoxy)-4-oxo-butanoyl]amino]ethanesulfonic acid CAS Name: 2-[[4-(4-nitrophenoxy)-1,4-dioxobutyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-(4-nitrophenoxy)-4-oxobutanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-keto-4-(4-nitrophenoxy)butanoyl]amino]ethanesulfonic acid Formula: C12H14N2O8S MolecularWeight: 346.31316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C12H14N2O8S/c15-11(13-7-8-23(19,20)21)5-6-12(16)22-10-3-1-9(2-4-10)14(17)18/h1-4H,5-8H2,(H,13,15)(H,19,20,21)