1-ethyl-4-oxidanylidene-7-pyrimidin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-7-pyrimidin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-pyrimidin-4-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-(4-pyrimidinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-pyrimidin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(4-pyrimidyl)quinoline-3-carboxylic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=NC=NC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=NC=NC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3/c1-2-19-8-12(16(21)22)15(20)11-4-3-10(7-14(11)19)13-5-6-17-9-18-13/h3-9H,2H2,1H3,(H,21,22)