2-[3-(3,4-dimethoxyphenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(3,4-dimethoxyphenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C25H21IN2O6 MolecularWeight: 572.34851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C25H21IN2O6/c1-33-19-11-8-15(12-20(19)34-2)21-23(29)27-18-10-9-16(26)13-17(18)24(30)28(21)22(25(31)32)14-6-4-3-5-7-14/h3-13,21-22H,1-2H3,(H,27,29)(H,31,32)