O4-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N(CCC#N)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N(CCC#N)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H20N2O5/c1-3-24-17(22)9-10-18(23)25-13-16(21)20(12-4-11-19)15-7-5-14(2)6-8-15/h5-10H,3-4,12-13H2,1-2H3/b10-9+