(E)-3-methyl-4-oxidanylidene-4-(phenethylamino)but-2-enoate

Systemtic Name: (E)-3-methyl-4-oxidanylidene-4-(phenethylamino)but-2-enoate Openeye Name: (E)-3-methyl-4-oxo-4-(phenethylamino)but-2-enoate CAS Name: (E)-3-methyl-4-oxo-4-(phenethylamino)-2-butenoate IUPAC Name: (E)-3-methyl-4-oxo-4-(phenethylamino)but-2-enoate Traditional Name: (E)-4-keto-3-methyl-4-(phenethylamino)but-2-enoate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

C/C(=C\C(=O)[O-])/C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO3/c1-10(9-12(15)16)13(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)/p-1/b10-9+