O1-ethyl O4-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 4-O-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H21NO5/c1-4-13-6-8-14(9-7-13)18-17(21)12(3)23-16(20)11-10-15(19)22-5-2/h6-12H,4-5H2,1-3H3,(H,18,21)/b11-10+/t12-/m0/s1