3-[7-iodanyl-3,5-bis(oxidanylidene)-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-iodanyl-3,5-bis(oxidanylidene)-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-(7-iodo-3,5-dioxo-1,4-benzodiazepin-4-yl)butanoic acid CAS Name: 3-(7-iodo-3,5-dioxo-1,4-benzodiazepin-4-yl)butanoic acid IUPAC Name: 3-(7-iodo-3,5-dioxo-1,4-benzodiazepin-4-yl)butanoic acid Traditional Name: 3-(7-iodo-3,5-diketo-1,4-benzodiazepin-4-yl)butyric acid Formula: C13H11IN2O4 MolecularWeight: 386.14191

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1C(=O)C=NC2=C(C1=O)C=C(C=C2)I

Isomeric SMILES

CC(CC(=O)O)N1C(=O)C=NC2=C(C1=O)C=C(C=C2)I

InChI

InChI=1S/C13H11IN2O4/c1-7(4-12(18)19)16-11(17)6-15-10-3-2-8(14)5-9(10)13(16)20/h2-3,5-7H,4H2,1H3,(H,18,19)