ethyl 1-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C19H21N3O3/c1-4-25-19(24)17-11-13(2)22(14(17)3)12-18(23)21-16-7-5-15(6-8-16)9-10-20/h5-8,11H,4,9,12H2,1-3H3,(H,21,23)