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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C11H11N3O8S MolecularWeight: 345.28534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O8S/c1-23(20,21)8-3-2-6(4-7(8)14(18)19)10(16)22-5-9(15)13-11(12)17/h2-4H,5H2,1H3,(H3,12,13,15,17)