3-nitro-5-(2-oxidanylpropylcarbamoyl)benzoic acid

Systemtic Name: 3-nitro-5-(2-oxidanylpropylcarbamoyl)benzoic acid Openeye Name: 3-(2-hydroxypropylcarbamoyl)-5-nitro-benzoic acid CAS Name: 3-[(2-hydroxypropylamino)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-(2-hydroxypropylcarbamoyl)-5-nitrobenzoic acid Traditional Name: 3-(2-hydroxypropylcarbamoyl)-5-nitro-benzoic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-6(14)5-12-10(15)7-2-8(11(16)17)4-9(3-7)13(18)19/h2-4,6,14H,5H2,1H3,(H,12,15)(H,16,17)