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

Systemtic Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-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=NC(=NO3)C4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NO3)C4=CC(=CC=C4)Br)C(=O)O

InChI

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