ethyl (3R)-3-[1-tert-butyl-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl (3R)-3-[1-tert-butyl-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl (3R)-3-(1-tert-butyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: (3R)-3-(1-tert-butyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(1-tert-butyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: (3R)-3-(1-tert-butyl-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C19H25IN2O4 MolecularWeight: 472.31727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C)(C)C

Isomeric SMILES

CCOC(=O)C[C@@H](C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C)(C)C

InChI

InChI=1S/C19H25IN2O4/c1-6-26-17(24)9-12(2)21-11-16(23)22(19(3,4)5)15-8-7-13(20)10-14(15)18(21)25/h7-8,10,12H,6,9,11H2,1-5H3/t12-/m1/s1