ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C14H15IN2O4 MolecularWeight: 402.18437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)NC2=C(C1=O)C=C(C=C2)I

Isomeric SMILES

CCOC(=O)CCN1CC(=O)NC2=C(C1=O)C=C(C=C2)I

InChI

InChI=1S/C14H15IN2O4/c1-2-21-13(19)5-6-17-8-12(18)16-11-4-3-9(15)7-10(11)14(17)20/h3-4,7H,2,5-6,8H2,1H3,(H,16,18)