tert-butyl 8-chloranyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-chloranyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 8-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 8-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-chloro-2-keto-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)Cl)NC(=O)C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)Cl)NC(=O)C1

InChI

InChI=1S/C14H17ClN2O3/c1-14(2,3)20-13(19)17-7-9-4-5-10(15)6-11(9)16-12(18)8-17/h4-6H,7-8H2,1-3H3,(H,16,18)