4-[(3-bromanyl-5-oxidanylidene-1,6-naphthyridin-6-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-bromanyl-5-oxidanylidene-1,6-naphthyridin-6-yl)methyl]benzoic acid Openeye Name: 4-[(3-bromo-5-oxo-1,6-naphthyridin-6-yl)methyl]benzoic acid CAS Name: 4-[(3-bromo-5-oxo-1,6-naphthyridin-6-yl)methyl]benzoic acid IUPAC Name: 4-[(3-bromo-5-oxo-1,6-naphthyridin-6-yl)methyl]benzoic acid Traditional Name: 4-[(3-bromo-5-keto-1,6-naphthyridin-6-yl)methyl]benzoic acid Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC3=NC=C(C=C3C2=O)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC3=NC=C(C=C3C2=O)Br)C(=O)O

InChI

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