ethyl 3-(cyanomethyl)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate CAS Name: 3-(cyanomethyl)-5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate Traditional Name: 1-benzyl-4-(cyanomethyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1CC#N)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1CC#N)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2O3/c1-3-22-17(21)15-12(2)19(16(20)14(15)9-10-18)11-13-7-5-4-6-8-13/h4-8,14H,3,9,11H2,1-2H3