4-[(E)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(3-butyl-4-oxo-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(3-butyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(3-butyl-4-keto-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N4O4/c1-2-3-12-25-20(27)17-7-5-4-6-16(17)18(24-25)19(26)23-22-13-14-8-10-15(11-9-14)21(28)29/h4-11,13H,2-3,12H2,1H3,(H,23,26)(H,28,29)/b22-13+