7-(2,6-dimethylpyridin-4-yl)-1-ethyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2,6-dimethyl-4-pyridyl)-1-ethyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-1-ethyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2,6-dimethyl-4-pyridyl)-1-ethyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CC(=NC(=C3)C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CC(=NC(=C3)C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H17N3O5/c1-4-21-9-15(19(24)25)18(23)14-8-17(22(26)27)13(7-16(14)21)12-5-10(2)20-11(3)6-12/h5-9H,4H2,1-3H3,(H,24,25)