(E)-6-azanyl-2-methylidene-6-oxidanylidene-3,3-bis(2-oxidanylidenepropyl)hex-4-enoic acid; (E)-2-methylidene-4-phenyl-but-3-enoate

Systemtic Name: (E)-6-azanyl-2-methylidene-6-oxidanylidene-3,3-bis(2-oxidanylidenepropyl)hex-4-enoic acid; (E)-2-methylidene-4-phenyl-but-3-enoate Openeye Name: (E)-3,3-diacetonyl-6-amino-2-methylene-6-oxo-hex-4-enoic acid; (E)-2-methylene-4-phenyl-but-3-enoate CAS Name: (E)-6-amino-2-methylene-6-oxo-3,3-bis(2-oxopropyl)-4-hexenoic acid; (E)-2-methylene-4-phenyl-3-butenoate IUPAC Name: (E)-6-amino-2-methylidene-6-oxo-3,3-bis(2-oxopropyl)hex-4-enoic acid; (E)-2-methylidene-4-phenylbut-3-enoate Traditional Name: (E)-3,3-diacetonyl-6-amino-6-keto-2-methylene-hex-4-enoic acid; (E)-2-methylene-4-phenyl-but-3-enoate Formula: C24H26NO7- MolecularWeight: 440.46574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=O)C)(C=CC(=O)N)C(=C)C(=O)O.C=C(C=CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(=O)CC(CC(=O)C)(/C=C/C(=O)N)C(=C)C(=O)O.C=C(/C=C/C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H17NO5.C11H10O2/c1-8(15)6-13(7-9(2)16,5-4-11(14)17)10(3)12(18)19;1-9(11(12)13)7-8-10-5-3-2-4-6-10/h4-5H,3,6-7H2,1-2H3,(H2,14,17)(H,18,19);2-8H,1H2,(H,12,13)/p-1/b5-4+;8-7+