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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

InChI

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