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

Systemtic Name: tert-butyl 2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-keto-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2NC(=O)C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2NC(=O)C1

InChI

InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-10-6-4-5-7-11(10)15-12(17)9-16/h4-7H,8-9H2,1-3H3,(H,15,17)