(E)-4-[2-(4-nitrophenyl)sulfonylethoxy]-4-oxidanylidene-but-2-enoic acid; urea

Systemtic Name: (E)-4-[2-(4-nitrophenyl)sulfonylethoxy]-4-oxidanylidene-but-2-enoic acid; urea Openeye Name: (E)-4-[2-(4-nitrophenyl)sulfonylethoxy]-4-oxo-but-2-enoic acid; urea CAS Name: (E)-4-[2-(4-nitrophenyl)sulfonylethoxy]-4-oxo-2-butenoic acid; urea IUPAC Name: (E)-4-[2-(4-nitrophenyl)sulfonylethoxy]-4-oxobut-2-enoic acid; urea Traditional Name: (E)-4-keto-4-(2-nosylethoxy)but-2-enoic acid; urea Formula: C13H15N3O9S MolecularWeight: 389.3379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCOC(=O)C=CC(=O)O.C(=O)(N)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCOC(=O)/C=C/C(=O)O.C(=O)(N)N

InChI

InChI=1S/C12H11NO8S.CH4N2O/c14-11(15)5-6-12(16)21-7-8-22(19,20)10-3-1-9(2-4-10)13(17)18;2-1(3)4/h1-6H,7-8H2,(H,14,15);(H4,2,3,4)/b6-5+;