ethyl 5-(2-chloranylethanoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 5-(2-chloranylethanoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate CAS Name: 5-(2-chloro-1-oxoethyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C15H19ClN2O3 MolecularWeight: 310.77596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CCl)C

Isomeric SMILES

CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CCl)C

InChI

InChI=1S/C15H19ClN2O3/c1-3-21-15(20)12-8-10(2)18(14(19)9-16)13-7-5-4-6-11(13)17-12/h4-7,10,12,17H,3,8-9H2,1-2H3