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

Systemtic Name: methyl (E)-4-oxidanylidene-4-(phenethylamino)but-2-enoate Openeye Name: methyl (E)-4-oxo-4-(phenethylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(phenethylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-(phenethylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(phenethylamino)but-2-enoic acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C/C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO3/c1-17-13(16)8-7-12(15)14-10-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,14,15)/b8-7+