3-[6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[6-[(E)-2-(4-hydroxyphenyl)vinyl]-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[6-[(E)-2-(4-hydroxyphenyl)vinyl]-1-keto-phthalazin-2-yl]propionic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC3=C(C=C2)C(=O)N(N=C3)CCC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC3=C(C=C2)C(=O)N(N=C3)CCC(=O)O)O

InChI

InChI=1S/C19H16N2O4/c22-16-6-3-13(4-7-16)1-2-14-5-8-17-15(11-14)12-20-21(19(17)25)10-9-18(23)24/h1-8,11-12,22H,9-10H2,(H,23,24)/b2-1+