[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C17H15N3O9S MolecularWeight: 437.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O9S/c1-10(15(21)19-17(18)23)28-16(22)11-5-7-13(8-6-11)29-30(26,27)14-4-2-3-12(9-14)20(24)25/h2-10H,1H3,(H3,18,19,21,23)/t10-/m1/s1