(E)-4-(4-bromophenyl)-4-[2-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylhydrazinyl]but-3-enoic acid

Systemtic Name: (E)-4-(4-bromophenyl)-4-[2-(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylhydrazinyl]but-3-enoic acid Openeye Name: (E)-4-(4-bromophenyl)-4-[2-(3-isopropyl-4-oxo-phthalazine-1-carbonyl)hydrazino]but-3-enoic acid CAS Name: (E)-4-(4-bromophenyl)-4-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]hydrazo]-3-butenoic acid IUPAC Name: (E)-4-(4-bromophenyl)-4-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]but-3-enoic acid Traditional Name: (E)-4-(4-bromophenyl)-4-[N'-(3-isopropyl-4-keto-phthalazine-1-carbonyl)hydrazino]but-3-enoic acid Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN/C(=C/CC(=O)O)/C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4O4/c1-13(2)27-22(31)17-6-4-3-5-16(17)20(26-27)21(30)25-24-18(11-12-19(28)29)14-7-9-15(23)10-8-14/h3-11,13,24H,12H2,1-2H3,(H,25,30)(H,28,29)/b18-11+