8-azanyl-7-bromanyl-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-azanyl-7-bromanyl-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-amino-7-bromo-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-amino-7-bromo-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-amino-7-bromo-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-amino-7-bromo-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C13H8BrN3O3 MolecularWeight: 334.12492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN=C2C3=C1C(=O)C(C=N3)C(=O)O)N)Br

Isomeric SMILES

C1=CC2=C(C(=CN=C2C3=C1C(=O)C(C=N3)C(=O)O)N)Br

InChI

InChI=1S/C13H8BrN3O3/c14-9-5-1-2-6-11(10(5)17-4-8(9)15)16-3-7(12(6)18)13(19)20/h1-4,7H,15H2,(H,19,20)