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4-[(7-bromanyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoic acid

4-[(7-bromanyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoic acid

Systemtic Name:4-[(7-bromanyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoic acid
Openeye Name:4-[(7-bromo-1-oxo-phthalazin-2-yl)methyl]benzoic acid
CAS Name:4-[(7-bromo-1-oxo-2-phthalazinyl)methyl]benzoic acid
IUPAC Name:4-[(7-bromo-1-oxophthalazin-2-yl)methyl]benzoic acid
Traditional Name:4-[(7-bromo-1-keto-phthalazin-2-yl)methyl]benzoic acid
Formula: C16H11BrN2O3
MolecularWeight: 359.17414
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)C=N2)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)C=N2)C(=O)O


InChI

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


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