ethyl 5-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[2-cyanoethyl(methyl)amino]-2-oxo-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-cyanoethyl(methyl)amino]-1,2-dioxoethyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-cyanoethyl(methyl)amino]-2-oxoacetyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-cyanoethyl(methyl)amino]-2-keto-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N(C)CCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N(C)CCC#N)C

InChI

InChI=1S/C21H23N3O4/c1-5-28-21(27)16-14(3)23-18(17(16)15-9-7-13(2)8-10-15)19(25)20(26)24(4)12-6-11-22/h7-10,23H,5-6,12H2,1-4H3