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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(7-iodo-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O4/c1-2-27-19(25)10-11-22-13-18(24)23(15-6-4-3-5-7-15)17-9-8-14(21)12-16(17)20(22)26/h3-9,12H,2,10-11,13H2,1H3