[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H19N3O9S MolecularWeight: 465.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O9S/c1-12(2)20-19(25)21-17(23)11-30-18(24)13-6-8-15(9-7-13)31-32(28,29)16-5-3-4-14(10-16)22(26)27/h3-10,12H,11H2,1-2H3,(H2,20,21,23,25)