O4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester O2-ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C20H21N3O5/c1-4-27-20(26)18-13(2)17(14(3)22-18)19(25)28-12-16(24)23(11-10-21)15-8-6-5-7-9-15/h5-9,22H,4,11-12H2,1-3H3