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

Systemtic Name: ethyl 3-[1-(4-ethylphenyl)carbonyl-7-iodanyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[1-(4-ethylbenzoyl)-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[1-[(4-ethylphenyl)-oxomethyl]-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-ethylbenzoyl)-7-iodo-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[1-(4-ethylbenzoyl)-7-iodo-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C23H23IN2O5 MolecularWeight: 534.34359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)I)CCC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)I)CCC(=O)OCC

InChI

InChI=1S/C23H23IN2O5/c1-3-15-5-7-16(8-6-15)22(29)26-19-10-9-17(24)13-18(19)23(30)25(14-20(26)27)12-11-21(28)31-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3