3-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-5-nitro-phenyl]carbonylamino]-2-oxidanyl-propan-1-olate

Systemtic Name: 3-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-5-nitro-phenyl]carbonylamino]-2-oxidanyl-propan-1-olate Openeye Name: 3-[[3-(2,3-dihydroxypropylcarbamoyl)-5-nitro-benzoyl]amino]-2-hydroxy-propan-1-olate CAS Name: 3-[[[3-[(2,3-dihydroxypropylamino)-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]-2-hydroxy-1-propanolate IUPAC Name: 3-[[3-(2,3-dihydroxypropylcarbamoyl)-5-nitrobenzoyl]amino]-2-hydroxypropan-1-olate Traditional Name: 3-[[3-(glycerylcarbamoyl)-5-nitro-benzoyl]amino]-2-hydroxy-propan-1-olate Formula: C14H18N3O8- MolecularWeight: 356.30802

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)NCC(C[O-])O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)NCC(C[O-])O

InChI

InChI=1S/C14H18N3O8/c18-6-11(20)4-15-13(22)8-1-9(3-10(2-8)17(24)25)14(23)16-5-12(21)7-19/h1-3,11-12,18,20-21H,4-7H2,(H,15,22)(H,16,23)/q-1