[2-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate

Systemtic Name: [2-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate Openeye Name: [2-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[2-[[(3-nitrophenyl)sulfonyloxyamino]-oxomethoxy]ethoxy-oxomethyl]amino] ester IUPAC Name: [2-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [2-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxycarbonylamino] ester Formula: C16H14N4O14S2 MolecularWeight: 550.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)ONC(=O)OCCOC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)ONC(=O)OCCOC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O14S2/c21-15(17-33-35(27,28)13-5-1-3-11(9-13)19(23)24)31-7-8-32-16(22)18-34-36(29,30)14-6-2-4-12(10-14)20(25)26/h1-6,9-10H,7-8H2,(H,17,21)(H,18,22)