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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: 3-(7-iodo-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid ethyl ester Formula: C26H23IN2O4 MolecularWeight: 554.37629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C26H23IN2O4/c1-2-33-25(31)16-23(18-9-5-3-6-10-18)28-17-24(30)29(20-11-7-4-8-12-20)22-14-13-19(27)15-21(22)26(28)32/h3-15,23H,2,16-17H2,1H3