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

Systemtic Name: ethyl 3-[7-iodanyl-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-iodo-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-iodo-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-iodo-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-iodo-2,5-diketo-1-(4-methoxyphenyl)-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C21H21IN2O5 MolecularWeight: 508.30631

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN2O5/c1-3-29-20(26)10-11-23-13-19(25)24(15-5-7-16(28-2)8-6-15)18-9-4-14(22)12-17(18)21(23)27/h4-9,12H,3,10-11,13H2,1-2H3