3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H11BrN4O4 MolecularWeight: 427.20834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NN=C(O3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NN=C(O3)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C18H11BrN4O4/c19-13-8-4-3-7-12(13)16-21-20-14(27-16)9-23-17(24)11-6-2-1-5-10(11)15(22-23)18(25)26/h1-8H,9H2,(H,25,26)