ethyl (3R)-3-[1-tert-butyl-9-chloranyl-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl (3R)-3-[1-tert-butyl-9-chloranyl-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl (3R)-3-(1-tert-butyl-9-chloro-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: (3R)-3-(1-tert-butyl-9-chloro-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(1-tert-butyl-9-chloro-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: (3R)-3-(1-tert-butyl-9-chloro-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C19H24ClIN2O4 MolecularWeight: 506.76233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C=C(C=C2C1=O)I)Cl)C(C)(C)C

Isomeric SMILES

CCOC(=O)C[C@@H](C)N1CC(=O)N(C2=C(C=C(C=C2C1=O)I)Cl)C(C)(C)C

InChI

InChI=1S/C19H24ClIN2O4/c1-6-27-16(25)7-11(2)22-10-15(24)23(19(3,4)5)17-13(18(22)26)8-12(21)9-14(17)20/h8-9,11H,6-7,10H2,1-5H3/t11-/m1/s1