2-[3-[(3-bromophenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-bromophenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-bromophenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(3-bromophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(3-bromophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(3-bromobenzyl)-4-keto-phthalazin-1-yl]acetic acid Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3/c18-12-5-3-4-11(8-12)10-20-17(23)14-7-2-1-6-13(14)15(19-20)9-16(21)22/h1-8H,9-10H2,(H,21,22)