4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-but-2-enoate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-but-2-enoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-2-butenoate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobut-2-enoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-but-2-enoate Formula: C13H12NO3- MolecularWeight: 230.23928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H13NO3/c15-12(5-6-13(16)17)14-8-7-10-3-1-2-4-11(10)9-14/h1-6H,7-9H2,(H,16,17)/p-1