(E)-4-oxidanylidene-4-[(2,3,4,5,6-pentamethylphenyl)methylamino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[(2,3,4,5,6-pentamethylphenyl)methylamino]but-2-enoate Openeye Name: (E)-4-oxo-4-[(2,3,4,5,6-pentamethylphenyl)methylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[(2,3,4,5,6-pentamethylphenyl)methylamino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[(2,3,4,5,6-pentamethylphenyl)methylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[(2,3,4,5,6-pentamethylbenzyl)amino]but-2-enoate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CNC(=O)C=CC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CNC(=O)/C=C/C(=O)[O-])C)C

InChI

InChI=1S/C16H21NO3/c1-9-10(2)12(4)14(13(5)11(9)3)8-17-15(18)6-7-16(19)20/h6-7H,8H2,1-5H3,(H,17,18)(H,19,20)/p-1/b7-6+