tert-butyl N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-amino-2-oxo-ethyl)-5-chloro-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-amino-2-oxoethyl)-5-chloro-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-amino-2-oxoethyl)-5-chloro-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-amino-2-keto-ethyl)-5-chloro-2-keto-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C16H19ClN4O4 MolecularWeight: 366.79946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)Cl)CC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)Cl)CC(=O)N

InChI

InChI=1S/C16H19ClN4O4/c1-16(2,3)25-15(24)20-13-14(23)21(8-11(18)22)10-7-5-4-6-9(10)12(17)19-13/h4-7,13H,8H2,1-3H3,(H2,18,22)(H,20,24)