2-[4-[(E)-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-[(4-oxo-3-propyl-phthalazine-1-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-[(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-[(4-keto-3-propyl-phthalazine-1-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H20N4O5/c1-2-11-25-21(29)17-6-4-3-5-16(17)19(24-25)20(28)23-22-12-14-7-9-15(10-8-14)30-13-18(26)27/h3-10,12H,2,11,13H2,1H3,(H,23,28)(H,26,27)/b22-12+