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

Systemtic Name: methyl 2-[(Z)-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 2-[(Z)-[(4-oxo-3-propyl-phthalazine-1-carbonyl)hydrazono]methyl]benzoate CAS Name: 2-[(Z)-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-[(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinylidene]methyl]benzoate Traditional Name: 2-[(Z)-[(4-keto-3-propyl-phthalazine-1-carbonyl)hydrazono]methyl]benzoic acid methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=CC=C3C(=O)OC

InChI

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