tert-butyl 2-[(E)-3-(2-bromophenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-(2-bromophenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-(2-bromophenyl)-3-oxo-prop-1-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-3-(2-bromophenyl)-3-keto-prop-1-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C=CC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1/C=C/C(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrNO3/c1-18(2,3)23-17(22)20-12-6-7-13(20)10-11-16(21)14-8-4-5-9-15(14)19/h4-12H,1-3H3/b11-10+