3-[(4-bromophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-bromophenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-bromophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-bromobenzyl)-4-keto-phthalazine-1-carboxylic 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=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

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

InChI

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