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

Systemtic Name: 3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(2-hydroxy-1,1-dimethylol-ethyl)carbamoyl]-5-nitro-benzoic acid Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O8/c15-4-12(5-16,6-17)13-10(18)7-1-8(11(19)20)3-9(2-7)14(21)22/h1-3,15-17H,4-6H2,(H,13,18)(H,19,20)