4-(2-bromophenyl)-7-(dioxidanylmethyl)-3,6-dimethyl-8-oxidanylidene-5H-1,5-naphthyridine-2-carboxylic acid

Systemtic Name: 4-(2-bromophenyl)-7-(dioxidanylmethyl)-3,6-dimethyl-8-oxidanylidene-5H-1,5-naphthyridine-2-carboxylic acid Openeye Name: 4-(2-bromophenyl)-7-(hydroperoxymethyl)-3,6-dimethyl-8-oxo-5H-1,5-naphthyridine-2-carboxylic acid CAS Name: 4-(2-bromophenyl)-7-(hydroperoxymethyl)-3,6-dimethyl-8-oxo-5H-1,5-naphthyridine-2-carboxylic acid IUPAC Name: 4-(2-bromophenyl)-7-(hydroperoxymethyl)-3,6-dimethyl-8-oxo-5H-1,5-naphthyridine-2-carboxylic acid Traditional Name: 4-(2-bromophenyl)-7-(hydroperoxymethyl)-8-keto-3,6-dimethyl-5H-1,5-naphthyridine-2-carboxylic acid Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=O)C(=C(N2)C)COO)N=C1C(=O)O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C2=C(C(=O)C(=C(N2)C)COO)N=C1C(=O)O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H15BrN2O5/c1-8-13(10-5-3-4-6-12(10)19)15-16(21-14(8)18(23)24)17(22)11(7-26-25)9(2)20-15/h3-6,25H,7H2,1-2H3,(H,20,22)(H,23,24)