tert-butyl 1-[2-chloranyl-4-(2-hydroxyethyloxy)phenyl]carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1-[2-chloranyl-4-(2-hydroxyethyloxy)phenyl]carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1-[2-chloro-4-(2-hydroxyethoxy)benzoyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 1-[[2-chloro-4-(2-hydroxyethoxy)phenyl]-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-chloro-4-(2-hydroxyethoxy)benzoyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-[2-chloro-4-(2-hydroxyethoxy)benzoyl]-3-keto-2,5-dihydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)OCCO)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)OCCO)Cl

InChI

InChI=1S/C23H25ClN2O6/c1-23(2,3)32-22(30)26-13-15-6-4-5-7-19(15)25(14-20(26)28)21(29)17-9-8-16(12-18(17)24)31-11-10-27/h4-9,12,27H,10-11,13-14H2,1-3H3