ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=CNC2=CC=CC=C2N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1C(=CNC2=CC=CC=C2N1)C(=O)OCC

InChI

InChI=1S/C16H20N2O4/c1-3-21-15(19)9-14-11(16(20)22-4-2)10-17-12-7-5-6-8-13(12)18-14/h5-8,10,14,17-18H,3-4,9H2,1-2H3