6-bromanyl-1-ethyl-5,7-dimethyl-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-ethyl-5,7-dimethyl-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 6-bromo-1-ethyl-5,7-dimethyl-4-oxo-cinnoline-3-carboxylic acid CAS Name: 6-bromo-1-ethyl-5,7-dimethyl-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 6-bromo-1-ethyl-5,7-dimethyl-4-oxocinnoline-3-carboxylic acid Traditional Name: 6-bromo-1-ethyl-4-keto-5,7-dimethyl-cinnoline-3-carboxylic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=C2)C)Br)C)C(=O)C(=N1)C(=O)O

Isomeric SMILES

CCN1C2=C(C(=C(C(=C2)C)Br)C)C(=O)C(=N1)C(=O)O

InChI

InChI=1S/C13H13BrN2O3/c1-4-16-8-5-6(2)10(14)7(3)9(8)12(17)11(15-16)13(18)19/h5H,4H2,1-3H3,(H,18,19)