[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-2-ureido-ethyl) ester Formula: C13H17N5O8S MolecularWeight: 403.36778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O8S/c1-17(2)9-4-3-8(5-10(9)18(22)23)27(24,25)15-6-12(20)26-7-11(19)16-13(14)21/h3-5,15H,6-7H2,1-2H3,(H3,14,16,19,21)