3-[(2-bromanyl-6-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-bromanyl-6-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid Openeye Name: 3-[(2-bromo-6-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid CAS Name: 3-[(2-bromo-6-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid IUPAC Name: 3-[(2-bromo-6-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid Traditional Name: 3-[(2-bromo-6-keto-1,7-naphthyridin-7-yl)methyl]benzoic acid Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C3C(=CC2=O)C=CC(=N3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C3C(=CC2=O)C=CC(=N3)Br)C(=O)O

InChI

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