[(2S)-3-(dicyclopropylmethylideneamino)oxy-2-oxidanyl-propyl]-(4-methylphenyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [(2S)-3-(dicyclopropylmethylideneamino)oxy-2-oxidanyl-propyl]-(4-methylphenyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [(2S)-3-(dicyclopropylmethyleneamino)oxy-2-hydroxy-propyl]-(p-tolyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [(2S)-3-(dicyclopropylmethylideneamino)oxy-2-hydroxypropyl]-(4-methylphenyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [(2S)-3-(dicyclopropylmethylideneamino)oxy-2-hydroxypropyl]-(4-methylphenyl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [(2S)-3-(dicyclopropylmethyleneamino)oxy-2-hydroxy-propyl]-(p-tolyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH2+]CC(CON=C(C2CC2)C3CC3)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[NH2+]C[C@@H](CON=C(C2CC2)C3CC3)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H24N2O2.C4H4O4/c1-12-2-8-15(9-3-12)18-10-16(20)11-21-19-17(13-4-5-13)14-6-7-14;5-3(6)1-2-4(7)8/h2-3,8-9,13-14,16,18,20H,4-7,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m0./s1