4-bromanyl-2-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoic acid

Systemtic Name: 4-bromanyl-2-[(1-oxidanylidenephthalazin-2-yl)methyl]benzoic acid Openeye Name: 4-bromo-2-[(1-oxophthalazin-2-yl)methyl]benzoic acid CAS Name: 4-bromo-2-[(1-oxo-2-phthalazinyl)methyl]benzoic acid IUPAC Name: 4-bromo-2-[(1-oxophthalazin-2-yl)methyl]benzoic acid Traditional Name: 4-bromo-2-[(1-ketophthalazin-2-yl)methyl]benzoic acid Formula: C16H11BrN2O3 MolecularWeight: 359.17414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=C(C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=C(C=CC(=C3)Br)C(=O)O

InChI

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