methyl 5-[(3-cyanophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(3-cyanophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(3-cyanophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3-cyanoanilino)-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3-cyanophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-cyanophenyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=CC(=C2)C#N)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=CC(=C2)C#N)C)C(=O)OC

InChI

InChI=1S/C17H17N3O3/c1-4-13-14(17(22)23-3)10(2)15(20-13)16(21)19-12-7-5-6-11(8-12)9-18/h5-8,20H,4H2,1-3H3,(H,19,21)