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

Systemtic Name: ethyl (3S)-3-[9-chloranyl-7-iodanyl-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl (3S)-3-(9-chloro-7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: (3S)-3-(9-chloro-7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(9-chloro-7-iodo-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: (3S)-3-(9-chloro-7-iodo-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C16H18ClIN2O4 MolecularWeight: 464.68259

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClIN2O4/c1-4-24-14(22)5-9(2)20-8-13(21)19(3)15-11(16(20)23)6-10(18)7-12(15)17/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1