O4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-2-22-15(20)8-9-16(21)23-12-14(19)18(11-10-17)13-6-4-3-5-7-13/h3-9H,2,11-12H2,1H3/b9-8+