1-prop-2-enoyl-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylate

Systemtic Name: 1-prop-2-enoyl-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylate Openeye Name: 1-prop-2-enoyl-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylate CAS Name: 1-(1-oxoprop-2-enyl)-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylate IUPAC Name: 1-prop-2-enoyl-1,2,3,4,9,9a-hexahydrobenzo[f]isoindole-3a-carboxylate Traditional Name: 1-acryloyl-1,2,3,4,9,9a-hexahydrobenz[f]isoindole-3a-carboxylate Formula: C16H16NO3- MolecularWeight: 270.30314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1C2CC3=CC=CC=C3CC2(CN1)C(=O)[O-]

Isomeric SMILES

C=CC(=O)C1C2CC3=CC=CC=C3CC2(CN1)C(=O)[O-]

InChI

InChI=1S/C16H17NO3/c1-2-13(18)14-12-7-10-5-3-4-6-11(10)8-16(12,9-17-14)15(19)20/h2-6,12,14,17H,1,7-9H2,(H,19,20)/p-1