3-cyano-1-ethyl-5-methyl-4-(phenylcarbonyl)pyrrole-2-carboxylate

Systemtic Name: 3-cyano-1-ethyl-5-methyl-4-(phenylcarbonyl)pyrrole-2-carboxylate Openeye Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-pyrrole-2-carboxylate CAS Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-2-pyrrolecarboxylate IUPAC Name: 4-benzoyl-3-cyano-1-ethyl-5-methylpyrrole-2-carboxylate Traditional Name: 4-benzoyl-3-cyano-1-ethyl-5-methyl-pyrrole-2-carboxylate Formula: C16H13N2O3- MolecularWeight: 281.28602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)[O-])C#N)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)[O-])C#N)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H14N2O3/c1-3-18-10(2)13(12(9-17)14(18)16(20)21)15(19)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,20,21)/p-1