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

Systemtic Name: 2-[7-iodanyl-2,5-bis(oxidanylidene)-3-pyridin-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-iodo-2,5-dioxo-3-(3-pyridyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-iodo-2,5-dioxo-3-(3-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-(7-iodo-2,5-dioxo-3-pyridin-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl)-2-phenylacetic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-(3-pyridyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C22H16IN3O4 MolecularWeight: 513.28461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CN=CC=C4

InChI

InChI=1S/C22H16IN3O4/c23-15-8-9-17-16(11-15)21(28)26(19(22(29)30)13-5-2-1-3-6-13)18(20(27)25-17)14-7-4-10-24-12-14/h1-12,18-19H,(H,25,27)(H,29,30)