1-ethyl-2-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-2-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-2-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-2-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-2-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-2-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H12N2O5/c1-3-14-7(2)11(13(17)18)12(16)9-6-8(15(19)20)4-5-10(9)14/h4-6H,3H2,1-2H3,(H,17,18)