4-(4-tert-butylphenyl)carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylate Formula: C16H16NO3- MolecularWeight: 270.30314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO3/c1-16(2,3)12-6-4-10(5-7-12)14(18)11-8-13(15(19)20)17-9-11/h4-9,17H,1-3H3,(H,19,20)/p-1