2-[(E)-but-2-enoyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: 2-[(E)-but-2-enoyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: 2-[(E)-but-2-enoyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 2-[(E)-1-oxobut-2-enyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate IUPAC Name: 2-[(E)-but-2-enoyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 2-[(E)-but-2-enoyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Formula: C15H14NO3- MolecularWeight: 256.27656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1CC(=CC2=CC=CC=C2N1)C(=O)[O-]

Isomeric SMILES

C/C=C/C(=O)C1CC(=CC2=CC=CC=C2N1)C(=O)[O-]

InChI

InChI=1S/C15H15NO3/c1-2-5-14(17)13-9-11(15(18)19)8-10-6-3-4-7-12(10)16-13/h2-8,13,16H,9H2,1H3,(H,18,19)/p-1/b5-2+