3-(1-hydroxyethylcarbamoyl)-5-nitro-benzoic acid

Systemtic Name: 3-(1-hydroxyethylcarbamoyl)-5-nitro-benzoic acid Openeye Name: 3-(1-hydroxyethylcarbamoyl)-5-nitro-benzoic acid CAS Name: 3-[(1-hydroxyethylamino)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-(1-hydroxyethylcarbamoyl)-5-nitrobenzoic acid Traditional Name: 3-(1-hydroxyethylcarbamoyl)-5-nitro-benzoic acid Formula: C10H10N2O6 MolecularWeight: 254.1962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O6/c1-5(13)11-9(14)6-2-7(10(15)16)4-8(3-6)12(17)18/h2-5,13H,1H3,(H,11,14)(H,15,16)