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

Systemtic Name: 2-ethyl-3-methyl-6-nitro-quinoline-4-carboxylic acid Openeye Name: 2-ethyl-3-methyl-6-nitro-quinoline-4-carboxylic acid CAS Name: 2-ethyl-3-methyl-6-nitro-4-quinolinecarboxylic acid IUPAC Name: 2-ethyl-3-methyl-6-nitroquinoline-4-carboxylic acid Traditional Name: 2-ethyl-3-methyl-6-nitro-cinchoninic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCC1=C(C(=C2C=C(C=CC2=N1)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H12N2O4/c1-3-10-7(2)12(13(16)17)9-6-8(15(18)19)4-5-11(9)14-10/h4-6H,3H2,1-2H3,(H,16,17)