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

Systemtic Name: 3-aminocarbonyl-2-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-5-nitro-benzoic acid Openeye Name: 3-carbamoyl-2-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-5-nitro-benzoic acid CAS Name: 3-carbamoyl-2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-nitrobenzoic acid IUPAC Name: 3-carbamoyl-2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-nitrobenzoic acid Traditional Name: 3-carbamoyl-2-(2-hydroxy-1,1-dimethylol-ethyl)-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)C(CO)(CO)CO)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O8/c13-10(18)7-1-6(14(21)22)2-8(11(19)20)9(7)12(3-15,4-16)5-17/h1-2,15-17H,3-5H2,(H2,13,18)(H,19,20)