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

Systemtic Name: 2-[7-bromanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-bromo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-bromo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[7-bromo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[7-bromo-2,5-diketo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C24H16BrF3N2O5 MolecularWeight: 549.29345

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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)Br)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)Br)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C24H16BrF3N2O5/c25-15-8-11-18-17(12-15)22(32)30(20(23(33)34)13-4-2-1-3-5-13)19(21(31)29-18)14-6-9-16(10-7-14)35-24(26,27)28/h1-12,19-20H,(H,29,31)(H,33,34)