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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)I)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)I)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O4/c1-22-17-8-7-15(21)11-16(17)20(26)23(12-18(22)24)10-9-19(25)27-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3