6-bromanyl-4-oxidanylidene-1-propyl-cinnoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-oxidanylidene-1-propyl-cinnoline-3-carboxylic acid Openeye Name: 6-bromo-4-oxo-1-propyl-cinnoline-3-carboxylic acid CAS Name: 6-bromo-4-oxo-1-propyl-3-cinnolinecarboxylic acid IUPAC Name: 6-bromo-4-oxo-1-propylcinnoline-3-carboxylic acid Traditional Name: 6-bromo-4-keto-1-propyl-cinnoline-3-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Br)C(=O)C(=N1)C(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Br)C(=O)C(=N1)C(=O)O

InChI

InChI=1S/C12H11BrN2O3/c1-2-5-15-9-4-3-7(13)6-8(9)11(16)10(14-15)12(17)18/h3-4,6H,2,5H2,1H3,(H,17,18)