1-(2-hydroxyethyloxymethyl)-7-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-7-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethoxymethyl)-7-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethoxymethyl)-7-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethoxymethyl)-7-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethoxymethyl)-4-keto-7-nitro-quinoline-3-carboxylic acid Formula: C13H12N2O7 MolecularWeight: 308.24358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)COCCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)COCCO

InChI

InChI=1S/C13H12N2O7/c16-3-4-22-7-14-6-10(13(18)19)12(17)9-2-1-8(15(20)21)5-11(9)14/h1-2,5-6,16H,3-4,7H2,(H,18,19)