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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C=NC2=C(C1=O)C=C(C=C2)I

Isomeric SMILES

COC(=O)CCN1C(=O)C=NC2=C(C1=O)C=C(C=C2)I

InChI

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