3-[(2-bromanyl-8-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-bromanyl-8-oxidanylidene-1,7-naphthyridin-7-yl)methyl]benzoic acid Openeye Name: 3-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid CAS Name: 3-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid IUPAC Name: 3-[(2-bromo-8-oxo-1,7-naphthyridin-7-yl)methyl]benzoic acid Traditional Name: 3-[(2-bromo-8-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=CC3=C(C2=O)N=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC3=C(C2=O)N=C(C=C3)Br)C(=O)O

InChI

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