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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: 3-[7-iodo-2,5-dioxo-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: 3-(1-benzyl-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C22H23IN2O4 MolecularWeight: 506.33349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C22H23IN2O4/c1-3-29-21(27)11-15(2)24-14-20(26)25(13-16-7-5-4-6-8-16)19-10-9-17(23)12-18(19)22(24)28/h4-10,12,15H,3,11,13-14H2,1-2H3