methyl 2-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 2-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 2-[(Z)-[(3-butyl-4-oxo-phthalazine-1-carbonyl)hydrazono]methyl]benzoate CAS Name: 2-[(Z)-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-[(3-butyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]benzoate Traditional Name: 2-[(Z)-[(3-butyl-4-keto-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22N4O4/c1-3-4-13-26-21(28)18-12-8-7-11-17(18)19(25-26)20(27)24-23-14-15-9-5-6-10-16(15)22(29)30-2/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)/b23-14-