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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)C(=O)OC

InChI

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