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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: 3-(7-iodo-2,5-diketo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C27H25IN2O4 MolecularWeight: 568.40287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25IN2O4/c1-3-34-24(31)16-18(2)29-25(19-10-6-4-7-11-19)27(33)30(21-12-8-5-9-13-21)23-15-14-20(28)17-22(23)26(29)32/h4-15,17-18,25H,3,16H2,1-2H3