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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-(7-iodo-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: 3-(7-iodo-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: 3-(7-iodo-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C18H23IN2O4 MolecularWeight: 458.29069

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23IN2O4/c1-5-25-17(23)8-12(4)20-10-16(22)21(11(2)3)15-7-6-13(19)9-14(15)18(20)24/h6-7,9,11-12H,5,8,10H2,1-4H3