diethyl-[2-[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(4-benzyl-1-oxo-phthalazin-2-yl)ethyl-diethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-[1-oxo-4-(phenylmethyl)-2-phthalazinyl]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(4-benzyl-1-oxophthalazin-2-yl)ethyl-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(4-benzyl-1-keto-phthalazin-2-yl)ethyl-diethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H25N3O.C4H4O4/c1-3-23(4-2)14-15-24-21(25)19-13-9-8-12-18(19)20(22-24)16-17-10-6-5-7-11-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-