[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H19N3O8S MolecularWeight: 401.39166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O8S/c1-9(2)7-16-15(21)17-13(19)8-26-14(20)10-4-5-12(27(3,24)25)11(6-10)18(22)23/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19,21)