4-[(2-bromanyl-8-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-bromanyl-8-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid Openeye Name: 4-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid CAS Name: 4-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid IUPAC Name: 4-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid Traditional Name: 4-[(2-bromo-8-keto-1,7-naphthyridin-7-yl)methyl]benzoic acid Formula: C16H11BrN2O3 MolecularWeight: 359.17414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C1C=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=NC2=C1C=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C16H11BrN2O3/c17-13-6-5-11-7-8-19(15(20)14(11)18-13)9-10-1-3-12(4-2-10)16(21)22/h1-8H,9H2,(H,21,22)