3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylamino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylcarbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(2-hydroxy-1,1-dimethylol-ethyl)-methyl-carbamoyl]-5-nitro-benzoic acid Formula: C13H16N2O8 MolecularWeight: 328.27474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)C(CO)(CO)CO

Isomeric SMILES

CN(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)C(CO)(CO)CO

InChI

InChI=1S/C13H16N2O8/c1-14(13(5-16,6-17)7-18)11(19)8-2-9(12(20)21)4-10(3-8)15(22)23/h2-4,16-18H,5-7H2,1H3,(H,20,21)