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

Systemtic Name: methyl 3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-hydroxy-1,1-dimethylol-ethyl)-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H18N2O8 MolecularWeight: 342.30132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O8/c1-15(14(6-17,7-18)8-19)12(20)9-3-10(13(21)24-2)5-11(4-9)16(22)23/h3-5,17-19H,6-8H2,1-2H3