(phenylmethyl) 2-[cyano(methyl)carbamoyl]-4-ethyl-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[cyano(methyl)carbamoyl]-4-ethyl-pyrrole-1-carboxylate Openeye Name: benzyl 2-[cyano(methyl)carbamoyl]-4-ethyl-pyrrole-1-carboxylate CAS Name: 2-[[cyano(methyl)amino]-oxomethyl]-4-ethyl-1-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[cyano(methyl)carbamoyl]-4-ethylpyrrole-1-carboxylate Traditional Name: 2-[cyano(methyl)carbamoyl]-4-ethyl-pyrrole-1-carboxylic acid benzyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=C1)C(=O)N(C)C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=CN(C(=C1)C(=O)N(C)C#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3/c1-3-13-9-15(16(21)19(2)12-18)20(10-13)17(22)23-11-14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3